 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer04_STD_M11_augccpVDZ.in
 Output=21_phenylethanol_conformer04_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-251204.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    251223.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer04_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer04_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.290197000000      0.748875000000     -0.891176000000
  C                                                -1.648974000000     -0.346953000000     -0.234259000000
  H                                                -1.847181000000      0.897780000000     -1.734096000000
  H                                                -1.837741000000     -1.270698000000     -0.796269000000
  C                                                -2.300915000000     -0.468453000000      1.135040000000
  C                                                -0.150678000000     -0.155244000000     -0.135613000000
  H                                                -3.376843000000     -0.608909000000      1.025779000000
  H                                                -2.123257000000      0.438110000000      1.715196000000
  H                                                -1.885133000000     -1.316357000000      1.680026000000
  C                                                 0.387808000000      1.095483000000      0.166105000000
  C                                                 1.761013000000      1.260318000000      0.290370000000
  C                                                 2.614804000000      0.175587000000      0.119503000000
  C                                                 2.086637000000     -1.073581000000     -0.182153000000
  C                                                 0.711910000000     -1.234195000000     -0.311415000000
  H                                                -0.277717000000      1.939381000000      0.293556000000
  H                                                 2.166838000000      2.236806000000      0.522706000000
  H                                                 3.685054000000      0.305030000000      0.215836000000
  H                                                 2.744500000000     -1.921576000000     -0.323868000000
  H                                                 0.303419000000     -2.208340000000     -0.554934000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.429526   0.000000
     3  H    0.963821   1.959122   0.000000
     4  H    2.071811   1.097631   2.362606   0.000000
     5  C    2.363801   1.521437   3.210048   2.141981   0.000000
     6  C    2.442509   1.513729   2.557759   2.127648   2.517177
     7  H    2.588261   2.154495   3.496697   2.475209   1.090544
     8  H    2.630137   2.154447   3.490721   3.051065   1.090871
     9  H    3.322701   2.158704   4.069407   2.477169   1.090333
    10  C    2.899947   2.527725   2.940243   3.387926   3.257908
    11  C    4.250874   3.806122   4.153187   4.531871   4.494594
    12  C    5.040751   4.310220   4.885356   4.770276   5.060672
    13  C    4.793823   3.805981   4.665803   3.977026   4.620800
    14  C    3.644357   2.523277   3.621917   2.595599   3.428660
    15  H    2.621254   2.717767   2.767584   3.731756   3.255624
    16  H    4.906950   4.670035   4.795675   5.484426   5.258726
    17  H    6.093119   5.392543   5.895694   5.831684   6.105329
    18  H    5.727244   4.667985   5.569654   4.652283   5.449421
    19  H    3.947787   2.716511   3.957712   2.349890   3.558901
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.458726   0.000000
     8  H    2.769229   1.772857   0.000000
     9  H    2.766417   1.775872   1.770902   0.000000
    10  C    1.394747   4.220970   3.022792   3.643513   0.000000
    11  C    2.416576   5.516557   4.218259   4.675979   1.388634
    12  C    2.796860   6.110369   5.006434   4.991048   2.409957
    13  C    2.418902   5.614680   4.858842   4.393360   2.777074
    14  C    1.392516   4.347065   3.865479   3.273717   2.400097
    15  H    2.141910   4.078543   2.771442   3.886633   1.082281
    16  H    3.395021   6.251686   4.802318   5.512062   2.143532
    17  H    3.879202   7.166706   6.000189   5.983288   3.391035
    18  H    3.396678   6.404333   5.781086   5.080884   3.859626
    19  H    2.144117   4.312906   4.248052   3.252759   3.382642
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.390969   0.000000
    13  C    2.403413   1.389380   0.000000
    14  C    2.772248   2.407111   1.390101   0.000000
    15  H    2.148850   3.392336   3.859328   3.378896   0.000000
    16  H    1.082683   2.147526   3.385546   3.854922   2.473221
    17  H    2.149433   1.082345   2.147999   3.389217   4.287272
    18  H    3.386589   2.147438   1.082572   2.145710   4.941862
    19  H    3.856256   3.388285   2.146278   1.084032   4.273318
                   16         17         18         19
    16  H    0.000000
    17  H    2.476067   0.000000
    18  H    4.282817   2.476630   0.000000
    19  H    4.938923   4.283290   2.468704   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4873523           1.1087927           0.9832918
 Leave Link  202 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.6499884117 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:              10.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.82D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer04_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:02:34 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.892809211965    
 DIIS: error= 3.19D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.892809211965     IErMin= 1 ErrMin= 3.19D-03
 ErrMax= 3.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-02 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.19D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 GapD=    0.404 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.67D-02 MaxDP=4.24D+00              OVMax= 1.71D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.89D-02    CP:  2.00D+00
 E= -385.902904768550     Delta-E=       -0.010095556585 Rises=F Damp=F
 DIIS: error= 7.58D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.902904768550     IErMin= 2 ErrMin= 7.58D-04
 ErrMax= 7.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-04 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.58D-03
 Coeff-Com: -0.330D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.328D-01 0.103D+01
 Gap=     0.333 Goal=   None    Shift=    0.000
 RMSDP=1.58D-02 MaxDP=9.12D-01 DE=-1.01D-02 OVMax= 5.86D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.59D-03    CP:  2.20D+00  1.20D+00
 E= -385.903171755397     Delta-E=       -0.000266986847 Rises=F Damp=F
 DIIS: error= 4.98D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.903171755397     IErMin= 3 ErrMin= 4.98D-04
 ErrMax= 4.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-04 BMatP= 3.53D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.98D-03
 Coeff-Com: -0.468D-01 0.495D+00 0.552D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.465D-01 0.492D+00 0.554D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=1.55D-03 MaxDP=8.79D-02 DE=-2.67D-04 OVMax= 3.09D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.02D-04    CP:  2.22D+00  1.22D+00  1.10D+00
 E= -385.903358715846     Delta-E=       -0.000186960449 Rises=F Damp=F
 DIIS: error= 1.00D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.903358715846     IErMin= 4 ErrMin= 1.00D-04
 ErrMax= 1.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.43D-06 BMatP= 2.69D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.00D-03
 Coeff-Com: -0.251D-02-0.390D-01 0.798D-01 0.962D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.251D-02-0.389D-01 0.797D-01 0.962D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=5.52D-04 MaxDP=3.27D-02 DE=-1.87D-04 OVMax= 8.07D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.34D-04    CP:  2.23D+00  1.23D+00  1.18D+00  1.41D+00
 E= -385.903366929235     Delta-E=       -0.000008213389 Rises=F Damp=F
 DIIS: error= 3.14D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.903366929235     IErMin= 5 ErrMin= 3.14D-05
 ErrMax= 3.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.01D-07 BMatP= 6.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.284D-02-0.500D-01-0.230D-01 0.289D+00 0.781D+00
 Coeff:      0.284D-02-0.500D-01-0.230D-01 0.289D+00 0.781D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=7.09D-05 MaxDP=2.65D-03 DE=-8.21D-06 OVMax= 2.65D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.45D-05    CP:  2.23D+00  1.23D+00  1.19D+00  1.46D+00  1.29D+00
 E= -385.903367925307     Delta-E=       -0.000000996072 Rises=F Damp=F
 DIIS: error= 9.39D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.903367925307     IErMin= 6 ErrMin= 9.39D-06
 ErrMax= 9.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.98D-08 BMatP= 8.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.913D-03-0.854D-02-0.140D-01-0.120D-01 0.205D+00 0.829D+00
 Coeff:      0.913D-03-0.854D-02-0.140D-01-0.120D-01 0.205D+00 0.829D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=2.38D-05 MaxDP=1.20D-03 DE=-9.96D-07 OVMax= 1.15D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.02D-05    CP:  2.23D+00  1.23D+00  1.19D+00  1.47D+00  1.34D+00
                    CP:  9.37D-01
 E= -385.903368032453     Delta-E=       -0.000000107146 Rises=F Damp=F
 DIIS: error= 2.92D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.903368032453     IErMin= 7 ErrMin= 2.92D-06
 ErrMax= 2.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-08 BMatP= 6.98D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.130D-04 0.275D-02-0.237D-02-0.375D-01-0.240D-01 0.274D+00
 Coeff-Com:  0.787D+00
 Coeff:      0.130D-04 0.275D-02-0.237D-02-0.375D-01-0.240D-01 0.274D+00
 Coeff:      0.787D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=1.07D-05 MaxDP=7.30D-04 DE=-1.07D-07 OVMax= 4.18D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.02D-06    CP:  2.23D+00  1.23D+00  1.19D+00  1.48D+00  1.35D+00
                    CP:  9.85D-01  1.06D+00
 E= -385.903368048680     Delta-E=       -0.000000016227 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.903368048680     IErMin= 8 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-09 BMatP= 1.09D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-03 0.201D-02 0.110D-02-0.113D-01-0.355D-01-0.221D-01
 Coeff-Com:  0.255D+00 0.811D+00
 Coeff:     -0.118D-03 0.201D-02 0.110D-02-0.113D-01-0.355D-01-0.221D-01
 Coeff:      0.255D+00 0.811D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=2.90D-06 MaxDP=1.55D-04 DE=-1.62D-08 OVMax= 1.56D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.21D-06    CP:  2.23D+00  1.23D+00  1.19D+00  1.47D+00  1.36D+00
                    CP:  9.87D-01  1.12D+00  1.13D+00
 E= -385.903368050689     Delta-E=       -0.000000002009 Rises=F Damp=F
 DIIS: error= 2.14D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.903368050689     IErMin= 9 ErrMin= 2.14D-07
 ErrMax= 2.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-11 BMatP= 1.21D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-04-0.763D-05 0.277D-03 0.167D-02-0.136D-02-0.231D-01
 Coeff-Com: -0.335D-01 0.937D-01 0.962D+00
 Coeff:     -0.109D-04-0.763D-05 0.277D-03 0.167D-02-0.136D-02-0.231D-01
 Coeff:     -0.335D-01 0.937D-01 0.962D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=2.07D-06 MaxDP=1.21D-04 DE=-2.01D-09 OVMax= 4.66D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.27D-07    CP:  2.23D+00  1.23D+00  1.19D+00  1.47D+00  1.35D+00
                    CP:  9.84D-01  1.14D+00  1.21D+00  1.12D+00
 E= -385.903368050774     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 8.26D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.903368050774     IErMin=10 ErrMin= 8.26D-08
 ErrMax= 8.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-12 BMatP= 5.10D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.721D-05-0.192D-03-0.547D-05 0.171D-02 0.301D-02-0.643D-02
 Coeff-Com: -0.366D-01-0.445D-01 0.338D+00 0.745D+00
 Coeff:      0.721D-05-0.192D-03-0.547D-05 0.171D-02 0.301D-02-0.643D-02
 Coeff:     -0.366D-01-0.445D-01 0.338D+00 0.745D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=5.63D-07 MaxDP=3.67D-05 DE=-8.52D-11 OVMax= 1.68D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.13D-07    CP:  2.23D+00  1.23D+00  1.19D+00  1.47D+00  1.35D+00
                    CP:  9.82D-01  1.14D+00  1.22D+00  1.17D+00  1.09D+00
 E= -385.903368050780     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 2.84D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.903368050780     IErMin=11 ErrMin= 2.84D-08
 ErrMax= 2.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-13 BMatP= 9.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.236D-05-0.356D-04-0.291D-04 0.170D-03 0.656D-03 0.881D-03
 Coeff-Com: -0.324D-02-0.176D-01-0.298D-01 0.143D+00 0.906D+00
 Coeff:      0.236D-05-0.356D-04-0.291D-04 0.170D-03 0.656D-03 0.881D-03
 Coeff:     -0.324D-02-0.176D-01-0.298D-01 0.143D+00 0.906D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=8.17D-08 MaxDP=6.40D-06 DE=-5.68D-12 OVMax= 5.61D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.27D-08    CP:  2.23D+00  1.23D+00  1.19D+00  1.47D+00  1.35D+00
                    CP:  9.81D-01  1.14D+00  1.22D+00  1.17D+00  1.19D+00
                    CP:  1.21D+00
 E= -385.903368050781     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.26D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.903368050781     IErMin=12 ErrMin= 1.26D-08
 ErrMax= 1.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-13 BMatP= 6.29D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-06 0.108D-04-0.971D-05-0.140D-03-0.142D-03 0.105D-02
 Coeff-Com:  0.324D-02-0.746D-03-0.480D-01-0.399D-01 0.283D+00 0.801D+00
 Coeff:     -0.108D-06 0.108D-04-0.971D-05-0.140D-03-0.142D-03 0.105D-02
 Coeff:      0.324D-02-0.746D-03-0.480D-01-0.399D-01 0.283D+00 0.801D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=3.61D-08 MaxDP=2.26D-06 DE=-1.48D-12 OVMax= 3.19D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.11D-08    CP:  2.23D+00  1.23D+00  1.19D+00  1.47D+00  1.35D+00
                    CP:  9.81D-01  1.14D+00  1.22D+00  1.17D+00  1.21D+00
                    CP:  1.32D+00  1.30D+00
 E= -385.903368050764     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 6.53D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -385.903368050781     IErMin=13 ErrMin= 6.53D-09
 ErrMax= 6.53D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-14 BMatP= 1.10D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.370D-06 0.832D-05 0.135D-05-0.652D-04-0.137D-03 0.182D-03
 Coeff-Com:  0.141D-02 0.235D-02-0.952D-02-0.331D-01-0.550D-01 0.237D+00
 Coeff-Com:  0.857D+00
 Coeff:     -0.370D-06 0.832D-05 0.135D-05-0.652D-04-0.137D-03 0.182D-03
 Coeff:      0.141D-02 0.235D-02-0.952D-02-0.331D-01-0.550D-01 0.237D+00
 Coeff:      0.857D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=2.18D-08 MaxDP=1.43D-06 DE= 1.76D-11 OVMax= 1.37D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.66D-09    CP:  2.23D+00  1.23D+00  1.19D+00  1.47D+00  1.35D+00
                    CP:  9.81D-01  1.14D+00  1.22D+00  1.17D+00  1.22D+00
                    CP:  1.36D+00  1.49D+00  1.20D+00
 E= -385.903368050817     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 1.96D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -385.903368050817     IErMin=14 ErrMin= 1.96D-09
 ErrMax= 1.96D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-15 BMatP= 1.66D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.737D-09-0.124D-05 0.166D-05 0.173D-04 0.173D-04-0.152D-03
 Coeff-Com: -0.438D-03 0.239D-03 0.708D-02 0.465D-02-0.459D-01-0.105D+00
 Coeff-Com:  0.497D-01 0.109D+01
 Coeff:     -0.737D-09-0.124D-05 0.166D-05 0.173D-04 0.173D-04-0.152D-03
 Coeff:     -0.438D-03 0.239D-03 0.708D-02 0.465D-02-0.459D-01-0.105D+00
 Coeff:      0.497D-01 0.109D+01
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=6.81D-09 MaxDP=4.13D-07 DE=-5.31D-11 OVMax= 7.18D-08

 SCF Done:  E(RM11) =  -385.903368051     A.U. after   14 cycles
            NFock= 14  Conv=0.68D-08     -V/T= 2.0065
 KE= 3.834191479050D+02 PE=-1.748526568367D+03 EE= 5.535540639992D+02
 Leave Link  502 at Thu Aug 12 21:05:12 2021, MaxMem=  5368709120 cpu:            1262.5 elap:             158.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.16186836D+03

 Leave Link  801 at Thu Aug 12 21:05:12 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.86D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 1.88D-01 7.19D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 2.89D-02 5.26D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.49D-03 1.25D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 1.71D-04 3.23D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 1.32D-05 6.02D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 6.12D-07 1.27D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.26D-08 2.17D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 2.45D-10 2.85D-06.
     11 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 4.79D-12 3.70D-07.
      7 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 1.14D-13 4.91D-08.
      1 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 8.54D-15 1.63D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.128781D+03
      2  0.885755D+00  0.105095D+03
      3  0.522780D+00  0.516756D+01  0.751401D+02
 Isotropic polarizability for W=    0.085645      103.01 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.971228D+02  0.482132D+01  0.498657D+01
      2  -0.347117D+02 -0.127183D+02 -0.160456D+02
      3  -0.624111D+02  0.789698D+01  0.110590D+02
      4  -0.145198D+02  0.840550D+02  0.288326D+02
      5   0.329899D+02  0.298672D+02 -0.149895D+02
      6   0.112114D+02  0.105050D+02 -0.742028D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.122188D+01  0.650959D+01  0.473133D+01
      2   0.154769D+01  0.125310D+02 -0.420912D+01
      3  -0.795249D+01 -0.421723D+02 -0.122944D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.103452D+01  0.265506D+02  0.153173D+02
      2  -0.280033D+02  0.176213D+02  0.474216D+02
      3  -0.193411D+02 -0.118767D+03 -0.186558D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.376924D+00 -0.219591D+01  0.302309D+00
      2  -0.219591D+01 -0.235281D+01  0.267722D+01
      3   0.302309D+00  0.267722D+01  0.990599D+00
 OR G Eigenvalues:    -4.6949     0.8806     2.8290  Iso=     0.3284
 Eigenvectors:
   (1)   0.382843   0.827776  -0.410144
   (2)   0.832182  -0.116243   0.542181
   (3)  -0.401128   0.548884   0.733364
 w=    0.085645 a.u., Optical Rotation Beta=      0.3284 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =      127.50 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 2.85D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.39D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.77D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 4.11D-02 3.10D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.35D-03 4.79D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.75D-05 7.68D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.62D-07 9.92D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.49D-09 7.43D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 3.52D-11 6.80D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 2.94D-13 5.95D-08.
     16 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 4.34D-15 9.22D-09.
      3 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 4.25D-16 3.29D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 6.62D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 6.62D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.80D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128781D+03  0.885755D+00  0.522780D+00
      2   0.885755D+00  0.105095D+03  0.516756D+01
      3   0.522780D+00  0.516756D+01  0.751401D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.122188D+01  0.650959D+01  0.473133D+01
      2   0.154769D+01  0.125310D+02 -0.420912D+01
      3  -0.795249D+01 -0.421723D+02 -0.122944D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.971228D+02  0.482132D+01  0.498657D+01
      2  -0.347117D+02 -0.127183D+02 -0.160456D+02
      3  -0.624111D+02  0.789698D+01  0.110590D+02
      4  -0.145198D+02  0.840550D+02  0.288326D+02
      5   0.329899D+02  0.298672D+02 -0.149895D+02
      6   0.112114D+02  0.105050D+02 -0.742028D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.590648D+01  0.222489D+01 -0.119677D+01  0.355007D+01 -0.238449D+01
      2   0.222489D+01 -0.112500D+01  0.183765D+01 -0.238449D+01  0.126822D+01
      3  -0.119677D+01  0.183765D+01 -0.327843D+01  0.141888D+01 -0.156969D+01
                 6             7             8             9            10 
      1   0.141888D+01  0.643899D+00  0.966813D+00 -0.274902D+01  0.444715D+01
      2  -0.156969D+01  0.966813D+00  0.112247D+01 -0.425131D+00  0.138821D+00
      3  -0.913466D-01 -0.274902D+01 -0.425131D+00  0.346740D+01 -0.120785D+01
                11            12            13            14            15 
      1   0.138821D+00 -0.120785D+01  0.239347D+00  0.290565D+01 -0.136299D+01
      2   0.491504D+00 -0.130577D+01  0.290565D+01  0.433475D+01  0.412640D+01
      3  -0.130577D+01  0.224359D+01 -0.136299D+01  0.412640D+01  0.138121D+01
                16            17            18            19            20 
      1  -0.496793D+01 -0.129964D+01  0.498842D+01  0.976560D+00  0.766917D-01
      2  -0.129964D+01  0.235964D+01  0.190763D+01  0.766917D-01  0.523610D+00
      3   0.498842D+01  0.190763D+01 -0.183734D+01 -0.603378D+00 -0.929942D+00
                21            22            23            24            25 
      1  -0.603378D+00  0.106769D+00 -0.175058D+00 -0.174466D+00 -0.148383D+01
      2  -0.929942D+00 -0.175058D+00  0.121325D+01 -0.112224D+01 -0.161004D-01
      3   0.231910D+01 -0.174466D+00 -0.112224D+01  0.132546D+01  0.293089D+00
                26            27            28            29            30 
      1  -0.161004D-01  0.293089D+00 -0.529921D+00 -0.149764D+01 -0.661380D+00
      2  -0.168725D+01  0.197928D+01 -0.149764D+01 -0.104303D+01 -0.391649D+00
      3   0.197928D+01 -0.679726D+01 -0.661380D+00 -0.391649D+00 -0.888799D+00
                31            32            33            34            35 
      1  -0.300405D+01 -0.208424D+01 -0.643599D+00 -0.635949D+00 -0.672041D+00
      2  -0.208424D+01 -0.602213D+01 -0.238220D+01 -0.672041D+00 -0.236024D+01
      3  -0.643599D+00 -0.238220D+01 -0.236044D+01 -0.136981D+01 -0.208845D+01
                36            37            38            39            40 
      1  -0.136981D+01  0.934912D+01  0.169144D+01  0.465309D+00  0.146765D+01
      2  -0.208845D+01  0.169144D+01 -0.189612D+01  0.963076D+00 -0.169930D+01
      3  -0.222942D+01  0.465309D+00  0.963076D+00 -0.296186D+01  0.117124D+01
                41            42            43            44            45 
      1  -0.169930D+01  0.117124D+01  0.593377D+01  0.150033D+01 -0.426476D+01
      2  -0.358123D+00 -0.447270D+01  0.150033D+01 -0.336793D+01 -0.111818D+01
      3  -0.447270D+01 -0.664708D+00 -0.426476D+01 -0.111818D+01  0.132143D+01
                46            47            48            49            50 
      1  -0.169414D+02 -0.181681D+01  0.489222D-01 -0.344322D+01  0.140430D+01
      2  -0.181681D+01 -0.253808D+01  0.271049D+00  0.140430D+01 -0.502216D+00
      3   0.489222D-01  0.271049D+00 -0.252697D+01  0.104001D+01 -0.226164D+00
                51            52            53            54            55 
      1   0.104001D+01 -0.750192D+00  0.107512D+01 -0.393321D+01 -0.143943D+02
      2  -0.226164D+00  0.107512D+01 -0.552842D+00 -0.599380D+00 -0.176032D+01
      3  -0.120501D+00 -0.393321D+01 -0.599380D+00 -0.732906D+00  0.149767D+01
                56            57            58            59            60 
      1  -0.176032D+01  0.149767D+01 -0.163939D+01 -0.150528D+01  0.135452D+00
      2  -0.117208D+01  0.185941D+00 -0.150528D+01 -0.586847D+00  0.591104D+00
      3   0.185941D+00 -0.145945D+01  0.135452D+00  0.591104D+00 -0.231217D+00
                61            62            63            64            65 
      1  -0.137390D+01 -0.263342D+00 -0.812428D+00 -0.596030D+00  0.672549D+00
      2  -0.263342D+00  0.843356D-01 -0.108744D+00  0.672549D+00  0.428642D+00
      3  -0.812428D+00 -0.108744D+00 -0.200904D+00  0.330027D+00  0.451269D-01
                66            67            68            69            70 
      1   0.330027D+00  0.188469D+01 -0.719344D-01 -0.784022D+00  0.712571D+00
      2   0.451269D-01 -0.719344D-01  0.377114D+01  0.247313D+01 -0.297001D+00
      3   0.828297D+00 -0.784022D+00  0.247313D+01  0.308233D+01 -0.107150D+00
                71            72            73            74            75 
      1  -0.297001D+00 -0.107150D+00  0.718537D-01 -0.101054D+01  0.512866D+00
      2   0.210783D+01  0.172147D+01 -0.101054D+01  0.124545D+01 -0.795905D+00
      3   0.172147D+01  0.331393D+01  0.512866D+00 -0.795905D+00  0.147478D+01
                76            77            78            79            80 
      1  -0.155868D+01  0.321746D+00 -0.642535D-01  0.356731D+00 -0.221573D+00
      2   0.321746D+00 -0.423989D+01  0.277031D+01 -0.221573D+00  0.219144D+01
      3  -0.642535D-01  0.277031D+01 -0.257054D+01  0.387453D+00 -0.187648D+01
                81            82            83            84            85 
      1   0.387453D+00  0.382810D+01 -0.850718D+00  0.220795D+00  0.790844D+01
      2  -0.187648D+01 -0.850718D+00 -0.338987D+01 -0.514551D+00  0.415514D-01
      3   0.305381D+01  0.220795D+00 -0.514551D+00 -0.201821D+01  0.460089D+00
                86            87            88            89            90 
      1   0.415514D-01  0.460089D+00  0.242883D+01 -0.834570D-01 -0.178061D+01
      2   0.152069D+01 -0.847998D+00 -0.834570D-01 -0.153098D+01  0.299278D+01
      3  -0.847998D+00  0.181246D+01 -0.178061D+01  0.299278D+01  0.109684D+01
                91            92            93            94            95 
      1  -0.394793D+01 -0.456479D+00 -0.194214D+00  0.506586D+01  0.135893D+00
      2  -0.456479D+00  0.244837D+01 -0.373633D+00  0.135893D+00  0.116233D+01
      3  -0.194214D+00 -0.373633D+00  0.964971D+00 -0.390816D+00 -0.112611D+01
                96            97            98            99           100 
      1  -0.390816D+00  0.538930D+00 -0.840735D+00  0.187203D+01  0.533361D+01
      2  -0.112611D+01 -0.840735D+00 -0.139943D+01  0.359154D+01  0.307756D+00
      3   0.232042D+01  0.187203D+01  0.359154D+01  0.250341D+01 -0.518937D+00
               101           102           103           104           105 
      1   0.307756D+00 -0.518937D+00  0.880405D+00 -0.272543D+00 -0.113273D+01
      2   0.331951D+01 -0.972621D-02 -0.272543D+00  0.235732D+00 -0.613205D+00
      3  -0.972621D-02  0.328070D+01 -0.113273D+01 -0.613205D+00  0.187503D+00
               106           107           108           109           110 
      1  -0.119485D+00 -0.115490D+01  0.520793D+01 -0.231558D+01 -0.733108D+00
      2  -0.115490D+01  0.130164D+00  0.440000D+00 -0.733108D+00  0.269917D+01
      3   0.520793D+01  0.440000D+00  0.108982D+01 -0.507683D+00  0.760584D+00
               111           112           113           114           115 
      1  -0.507683D+00 -0.557887D+01 -0.912241D+00 -0.967269D+00 -0.149494D+01
      2   0.760584D+00 -0.912241D+00 -0.977222D+00  0.131465D+01 -0.667174D+00
      3   0.199797D+01 -0.967269D+00  0.131465D+01 -0.216234D+01  0.283088D+01
               116           117           118           119           120 
      1  -0.667174D+00  0.283088D+01  0.518753D+01  0.244372D+01  0.947844D+00
      2   0.170882D+01 -0.305505D+01  0.244372D+01 -0.237627D+01 -0.945748D-01
      3  -0.305505D+01 -0.143476D+01  0.947844D+00 -0.945748D-01 -0.114783D+01
               121           122           123           124           125 
      1  -0.644934D+01 -0.497866D+00  0.189956D+00 -0.589887D+00  0.996211D+00
      2  -0.497866D+00 -0.166922D+01  0.110985D+01  0.996211D+00  0.122932D+01
      3   0.189956D+00  0.110985D+01 -0.199398D+01 -0.932237D+00 -0.329186D+01
               126           127           128           129           130 
      1  -0.932237D+00 -0.333591D+01  0.234381D+01  0.295772D+00  0.237769D+01
      2  -0.329186D+01  0.234381D+01 -0.275247D+01 -0.248932D+00 -0.288028D+01
      3  -0.271857D+01  0.295772D+00 -0.248932D+00 -0.487938D+00 -0.495318D+00
               131           132           133           134           135 
      1  -0.288028D+01 -0.495318D+00  0.259412D+00 -0.446255D+00 -0.586538D-01
      2   0.589410D+01  0.803640D+00 -0.446255D+00  0.104908D+01  0.252559D+00
      3   0.803640D+00  0.809802D+00 -0.586538D-01  0.252559D+00  0.226801D+00
               136           137           138           139           140 
      1   0.227625D+01  0.262506D+01  0.650328D+00  0.224840D+01  0.374147D+01
      2   0.262506D+01  0.287459D+01  0.668367D+00  0.374147D+01  0.935410D+01
      3   0.650328D+00  0.668367D+00  0.504558D+00  0.849127D+00  0.196373D+01
               141           142           143           144           145 
      1   0.849127D+00  0.684813D+00  0.102873D+01  0.286043D+00  0.132514D+02
      2   0.196373D+01  0.102873D+01  0.222669D+01  0.537510D+00  0.126094D+01
      3   0.125024D+01  0.286043D+00  0.537510D+00  0.327644D+00  0.995122D+00
               146           147           148           149           150 
      1   0.126094D+01  0.995122D+00  0.111598D+01  0.163183D+01  0.442172D+00
      2   0.876231D+00  0.811948D-01  0.163183D+01  0.460653D+00  0.150621D+00
      3   0.811948D-01  0.944856D+00  0.442172D+00  0.150621D+00  0.149066D+00
               151           152           153           154           155 
      1   0.101728D+01  0.424330D+00  0.497386D-01  0.488037D+01 -0.384609D+01
      2   0.424330D+00  0.108588D+00  0.205492D-01 -0.384609D+01  0.357391D+01
      3   0.497386D-01  0.205492D-01  0.967019D-01 -0.581311D+00  0.432594D+00
               156           157           158           159           160 
      1  -0.581311D+00 -0.364880D+01  0.439899D+01  0.806425D+00 -0.583960D+00
      2   0.432594D+00  0.439899D+01 -0.655957D+01 -0.104608D+01  0.701904D+00
      3   0.606024D+00  0.806425D+00 -0.104608D+01 -0.886491D+00  0.201791D+00
               161           162           163           164           165 
      1   0.701904D+00  0.201791D+00 -0.163439D+01 -0.181396D+01 -0.493136D+00
      2  -0.130465D+01 -0.272146D+00 -0.181396D+01 -0.218807D+01 -0.580895D+00
      3  -0.272146D+00 -0.187758D+00 -0.493136D+00 -0.580895D+00 -0.395365D+00
               166           167           168           169           170 
      1  -0.152294D+01 -0.209819D+01 -0.497891D+00 -0.576158D+00 -0.731220D+00
      2  -0.209819D+01 -0.829974D+01 -0.189704D+01 -0.731220D+00 -0.211505D+01
      3  -0.497891D+00 -0.189704D+01 -0.123693D+01 -0.109511D+00 -0.607903D+00
               171 
      1  -0.109511D+00
      2  -0.607903D+00
      3  -0.358877D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.469041D-01  0.276121D+01  0.236553D+01  0.443234D+00 -0.338451D+01
      2  -0.393192D+01 -0.366329D+01  0.132823D+02 -0.269597D+00  0.108734D+01
      3   0.377392D+01 -0.992717D+01  0.552815D+01 -0.290683D+01  0.548619D+01
                 6             7             8             9            10 
      1  -0.263502D+01 -0.105126D+01  0.429122D+01 -0.473032D+01 -0.112468D+01
      2   0.838791D+00  0.509476D+01  0.339238D+01 -0.101152D+02  0.377483D+01
      3  -0.317224D+01  0.265946D+01  0.884883D+00 -0.340460D+01 -0.213439D+01
                11            12            13            14            15 
      1  -0.359903D+00  0.160148D+00  0.160360D+01  0.339727D+01 -0.645240D+00
      2   0.175352D+01 -0.303775D+01  0.668071D+00 -0.809645D+01 -0.274638D+01
      3   0.150411D+01 -0.638530D+00  0.126626D+02  0.564670D+01  0.972928D+01
                16            17            18            19            20 
      1   0.363902D+01  0.304398D+01 -0.981025D+00  0.245438D-01 -0.470669D+00
      2  -0.161157D+02 -0.495789D+01  0.315412D+01  0.509657D+01  0.205580D+01
      3   0.438685D+00  0.914564D+01  0.118734D+01  0.201826D+01  0.215551D+01
                21            22            23            24            25 
      1  -0.186639D+01 -0.186457D+00 -0.105196D+00 -0.116201D+01 -0.766863D+00
      2  -0.624513D+01  0.390848D+00  0.235281D+01 -0.355914D+01 -0.476293D+01
      3  -0.295029D+01  0.168087D+01  0.240349D+01 -0.241358D+01 -0.108851D+01
                26            27            28            29            30 
      1   0.865210D+00  0.420713D+01 -0.393727D+00 -0.126894D+00 -0.101492D+01
      2  -0.528577D+01  0.160991D+02  0.106215D+01  0.348237D+00  0.242028D+01
      3  -0.336586D+01  0.735482D+01 -0.371734D+01 -0.248593D+01 -0.447944D+00
                31            32            33            34            35 
      1  -0.391545D+00  0.769205D+00 -0.348080D+01 -0.689636D+00  0.537394D+00
      2  -0.338503D+00  0.418376D+01  0.463344D+01  0.623644D+00  0.300112D+01
      3   0.115424D+01 -0.119341D+02 -0.486704D+01  0.140545D+00 -0.465865D+01
                36            37            38            39            40 
      1  -0.213401D+01  0.317563D+01 -0.359241D+01 -0.591664D+00 -0.110799D+00
      2   0.389147D+01 -0.138267D+02 -0.477869D+01  0.114255D+02 -0.401577D+01
      3  -0.324395D+01  0.130309D+01 -0.998234D+01  0.153825D+01 -0.249181D+01
                41            42            43            44            45 
      1  -0.237754D+01 -0.105374D+02 -0.191697D+01 -0.501727D+01 -0.260786D-01
      2   0.145652D+02  0.723369D+00  0.666549D+01  0.222586D+01  0.106703D+01
      3   0.480255D-02 -0.148775D+02 -0.364711D+00 -0.135569D+02 -0.481269D-01
                46            47            48            49            50 
      1  -0.850119D+00  0.128465D+00  0.774346D-01 -0.109325D+01 -0.360716D+01
      2  -0.401819D+01 -0.709046D+00 -0.866411D+00 -0.879383D+00  0.955441D+00
      3   0.985589D+00  0.510389D+01  0.808572D+00  0.155986D+02  0.121750D+01
                51            52            53            54            55 
      1   0.150915D+01 -0.526933D+00  0.993730D+01  0.265173D+01 -0.104553D+01
      2   0.583716D+00 -0.145334D+02  0.411658D+00 -0.733902D+00  0.110470D+02
      3  -0.151971D+01 -0.177038D+00 -0.668071D+00  0.252520D+00  0.279415D+01
                56            57            58            59            60 
      1  -0.184867D+01 -0.114912D+01 -0.164675D+01 -0.176381D+00 -0.123085D+00
      2   0.139955D+01  0.607942D+01  0.149582D+01 -0.431169D+00  0.911027D+00
      3  -0.565443D+01 -0.264160D+00 -0.207205D+01 -0.999288D+00  0.170978D+01
                61            62            63            64            65 
      1  -0.601472D+00  0.104953D+01 -0.264270D+00  0.155402D+01  0.140677D+01
      2   0.148111D+01  0.249155D+00  0.129314D+01 -0.134948D+01 -0.122638D+01
      3  -0.181617D+00  0.137256D+01  0.292119D+00  0.259898D+01  0.127976D+01
                66            67            68            69            70 
      1   0.247035D+00  0.581989D+00  0.813372D+01  0.324911D+01 -0.103374D+00
      2  -0.212420D+01 -0.172192D+01 -0.734635D+01 -0.737543D+01 -0.232885D+01
      3   0.236852D+00  0.228340D+01  0.111398D+02  0.709886D+01 -0.274167D+00
                71            72            73            74            75 
      1   0.575972D+01  0.374348D+01 -0.148134D+01  0.223247D+01  0.434506D+00
      2  -0.452520D+01 -0.802026D+01 -0.304244D+01  0.309701D+01 -0.341123D+01
      3   0.611121D+01  0.481133D+01 -0.404699D+01  0.383496D+01 -0.214996D+01
                76            77            78            79            80 
      1   0.112233D+01 -0.497863D+01  0.537615D+00  0.313989D+00  0.363438D+01
      2   0.325432D+01 -0.808322D+01  0.646238D+01 -0.332147D+01  0.506934D+01
      3   0.453030D+01 -0.109045D+02  0.722710D+01 -0.991583D+00  0.579651D+01
                81            82            83            84            85 
      1  -0.421077D+00  0.312502D-01 -0.361087D+00  0.332286D+01 -0.101013D+01
      2  -0.765805D+01  0.178397D+01  0.548467D+00 -0.174401D+01  0.356925D+01
      3  -0.533532D+01  0.229065D+00  0.147851D+00  0.477786D+00  0.317688D+01
                86            87            88            89            90 
      1   0.313472D+00 -0.246747D+01  0.669051D+01  0.332726D+01  0.527208D+00
      2   0.467811D+00  0.752308D+00 -0.116884D+02 -0.678020D-01  0.186193D+00
      3  -0.611060D+01  0.980277D+00 -0.151783D+01  0.122436D+00 -0.554383D+01
                91            92            93            94            95 
      1  -0.429034D-01  0.983546D+00 -0.242687D+01  0.147701D+01  0.137283D+00
      2  -0.559867D+00  0.237801D+01  0.423362D+00  0.972431D+00 -0.322692D+01
      3   0.250042D+01 -0.124311D+02 -0.212337D+01  0.393914D+01 -0.801014D+00
                96            97            98            99           100 
      1  -0.379243D+01 -0.476207D+01  0.101947D+01 -0.123169D+01  0.281355D+00
      2   0.583867D+01 -0.788116D+01  0.839190D+01  0.409670D+01 -0.138701D-01
      3   0.184068D+01 -0.425866D-01  0.252772D+01 -0.424629D+01 -0.217295D+01
               101           102           103           104           105 
      1  -0.432769D+00 -0.121987D+01 -0.120445D+01 -0.269718D+01  0.262100D+01
      2  -0.534583D+00  0.896737D+01 -0.449128D+01  0.890355D-01  0.114988D+01
      3  -0.746955D+01  0.303108D+00  0.105350D+02 -0.196778D+01  0.131065D+01
               106           107           108           109           110 
      1  -0.204881D+01  0.106886D+02  0.265178D+01 -0.198949D+00 -0.834179D+00
      2   0.730947D+01  0.213186D+01  0.259002D+01 -0.813850D+00  0.152547D+01
      3   0.368686D+01  0.650689D+00 -0.500411D+00  0.320477D+01 -0.985872D+01
               111           112           113           114           115 
      1   0.339077D+01 -0.124163D+01 -0.163395D-01 -0.226853D+01  0.647073D+01
      2   0.276683D+01 -0.722230D+00  0.330054D+01 -0.658427D+01 -0.367655D+01
      3  -0.165217D+01  0.741724D+01  0.192665D+01 -0.216166D+01  0.209737D+00
               116           117           118           119           120 
      1   0.356305D+01  0.114612D+01  0.138882D+00  0.130276D+01 -0.241884D+01
      2  -0.942032D+01 -0.398316D+01  0.346948D+01  0.176966D+01 -0.160186D+01
      3  -0.313569D+01  0.393301D+01 -0.537230D+01 -0.355104D+01 -0.238275D+01
               121           122           123           124           125 
      1   0.101719D+01  0.991426D+00 -0.315032D+01 -0.481285D+01  0.119936D+01
      2   0.113170D+01 -0.479390D+00 -0.138913D+01 -0.128467D+02 -0.111311D+01
      3   0.394147D+01  0.581505D+01 -0.163969D+00 -0.193287D+01 -0.100158D+01
               126           127           128           129           130 
      1  -0.101539D+01 -0.795115D-01 -0.750598D+00  0.229241D+01  0.119221D+00
      2  -0.247508D+01  0.165152D+01 -0.774085D+00  0.648882D+00 -0.635865D+00
      3   0.473215D+01 -0.887481D+01  0.360779D+01  0.550589D+00  0.638626D+01
               131           132           133           134           135 
      1  -0.111736D+00 -0.311112D+01 -0.723296D-01  0.186456D+01 -0.179514D+00
      2   0.110337D+01 -0.118081D+01 -0.186432D+01  0.486268D+00 -0.182978D+00
      3  -0.505630D+01 -0.114940D+01  0.143810D+00 -0.842834D+00 -0.276651D+00
               136           137           138           139           140 
      1  -0.173512D+00  0.530031D-01 -0.170153D+01 -0.175906D+00  0.438707D+00
      2   0.258882D+00  0.564934D+00  0.160382D+01  0.521139D+00  0.279828D+01
      3  -0.727388D+00 -0.250147D+01 -0.427259D+00 -0.128495D+01 -0.134954D+02
               141           142           143           144           145 
      1  -0.432011D+01  0.607737D+00  0.210399D+01 -0.538332D+00 -0.118056D+00
      2   0.324526D+01 -0.624166D+00  0.122576D+00  0.690655D+00  0.122911D+01
      3  -0.255626D+01 -0.509193D+00 -0.314501D+01 -0.717577D+00 -0.699049D+00
               146           147           148           149           150 
      1   0.346819D+00 -0.578800D+00  0.719632D-02 -0.824178D-02 -0.404095D+00
      2  -0.379680D-02  0.609229D+01  0.166137D+01  0.373391D+00  0.872673D+00
      3  -0.530730D+01  0.482960D-01 -0.364354D+01 -0.130617D+01 -0.381974D+00
               151           152           153           154           155 
      1   0.405948D+00  0.652469D+00  0.244280D-01  0.187025D+00 -0.622514D+00
      2  -0.302374D+01 -0.195333D+00  0.279994D+00  0.513569D-01 -0.398371D-01
      3  -0.133001D+01 -0.718161D+00 -0.769723D-01  0.150063D+01 -0.480632D+01
               156           157           158           159           160 
      1   0.222466D+01  0.315811D+00  0.990711D-01 -0.333376D+01 -0.837015D+00
      2   0.276214D+01  0.851530D+00 -0.149347D+01 -0.336503D+01 -0.867252D+00
      3  -0.193853D+00 -0.326941D+01  0.108444D+02  0.133811D+01 -0.106430D+01
               161           162           163           164           165 
      1   0.164688D+01 -0.288818D+00  0.687144D-01  0.184649D+00 -0.154736D+01
      2   0.348782D+00 -0.448926D+00 -0.160755D+01 -0.112927D+01  0.128617D+00
      3   0.228945D+01  0.338310D+00  0.638819D+01  0.380423D+01  0.115626D+01
               166           167           168           169           170 
      1   0.112299D+00  0.601087D+00 -0.405570D+01  0.509802D+00  0.237017D+01
      2  -0.144194D+01 -0.212004D+01  0.188691D+00 -0.204373D+01 -0.715797D+00
      3   0.676651D+01  0.854090D+01  0.229198D+01  0.219532D+01  0.219164D+01
               171 
      1  -0.558927D+00
      2   0.568455D-02
      3   0.492149D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.273702D+02 -0.236518D+01 -0.210502D+01 -0.791445D+01  0.298522D+01
      2  -0.148990D+02 -0.101115D+01 -0.591326D+01  0.335157D+01  0.729123D+01
      3  -0.124713D+02  0.337633D+01  0.801827D+01  0.456288D+01 -0.102764D+02
      4  -0.153878D+02  0.161271D+02 -0.717766D+01  0.198021D+02 -0.117974D+02
      5   0.120899D+02 -0.847042D+01  0.231642D+02 -0.110267D+02  0.101269D+02
      6  -0.459827D+01  0.421598D+01 -0.667127D+01  0.743549D+01 -0.369305D+01
                 6             7             8             9            10 
      1  -0.524356D+01 -0.236957D+01 -0.262612D+01  0.172166D+02  0.612393D+01
      2   0.256795D+01 -0.293050D+01 -0.188638D+01 -0.533878D+01 -0.332441D+00
      3   0.267561D+01  0.530008D+01  0.451250D+01 -0.118778D+02 -0.579149D+01
      4   0.985684D+01 -0.577533D+01  0.303034D+00 -0.225644D+01  0.379800D+01
      5  -0.450084D+01  0.196940D+02 -0.809859D+00 -0.438720D+01  0.591799D+01
      6   0.592846D+01 -0.419760D+01  0.226952D+01  0.334037D+01  0.213877D+01
                11            12            13            14            15 
      1   0.199762D+01 -0.202731D+01  0.902959D+01  0.141440D+01  0.672146D+01
      2  -0.228585D+00 -0.247383D+01 -0.691870D+01 -0.835715D+01 -0.119114D+02
      3  -0.176904D+01  0.450114D+01 -0.211089D+01  0.694275D+01  0.518992D+01
      4  -0.106540D+02  0.450130D+01 -0.168235D+02 -0.169979D+02 -0.203327D+02
      5   0.459650D+01 -0.167600D+02  0.106049D+02 -0.192592D+02 -0.336145D+01
      6  -0.470336D+00 -0.505660D+00 -0.740033D+01 -0.100983D+02 -0.683307D+01
                16            17            18            19            20 
      1   0.713648D+01  0.640969D+01 -0.684430D+01 -0.379236D+01 -0.329913D+01
      2  -0.110015D+02 -0.590658D+01  0.817456D+01  0.512543D+00  0.523537D+00
      3   0.386506D+01 -0.503108D+00 -0.133026D+01  0.327981D+01  0.277560D+01
      4   0.103557D+02 -0.141112D+02 -0.849475D+01  0.503373D+00 -0.255587D+01
      5  -0.311920D+02 -0.816655D+01  0.700332D+01  0.134829D+01  0.206054D+01
      6  -0.604373D+01 -0.782074D+01  0.152376D+01 -0.823822D+00 -0.247491D+01
                21            22            23            24            25 
      1   0.100883D+02 -0.147378D+01 -0.479087D+01  0.456787D+01  0.684582D+01
      2   0.250844D+00  0.747130D-01  0.204867D+01 -0.125952D+01 -0.220621D+01
      3  -0.103392D+02  0.139907D+01  0.274220D+01 -0.330834D+01 -0.463961D+01
      4   0.122359D+01  0.194735D+01 -0.387255D+01  0.322923D+01 -0.206877D+01
      5  -0.556218D+01 -0.211105D+00  0.313511D+01 -0.468853D+01  0.294677D+01
      6   0.433424D+01 -0.248822D+00 -0.378415D+01  0.688805D+01  0.115111D+01
                26            27            28            29            30 
      1   0.577455D+01 -0.198282D+02  0.279667D+01  0.328990D+01  0.260429D+01
      2   0.377113D+00 -0.617842D+01  0.837986D+00 -0.271286D+00 -0.452645D+00
      3  -0.615166D+01  0.260066D+02 -0.363466D+01 -0.301862D+01 -0.215164D+01
      4   0.423014D+01 -0.581859D+01  0.885505D+01  0.103190D+02  0.362813D+01
      5  -0.711463D+01  0.217014D+02  0.438142D+01  0.361542D+01  0.726884D+01
      6   0.640319D+01 -0.114934D+02  0.437067D+01  0.198178D+01  0.167842D+01
                31            32            33            34            35 
      1   0.190222D+01 -0.949673D+01 -0.480453D+01  0.793530D+00 -0.511452D+01
      2   0.218797D+01  0.172622D+02  0.575889D+01  0.689744D+00  0.406226D+01
      3  -0.409018D+01 -0.776548D+01 -0.954361D+00 -0.148327D+01  0.105226D+01
      4   0.133315D+02  0.271603D+02  0.106499D+02  0.476910D+01  0.105596D+02
      5   0.443506D+01  0.104649D+02  0.106921D+02  0.916077D+01  0.881718D+01
      6   0.418835D+01  0.143988D+02  0.986368D+01  0.400365D+01  0.111554D+02
                36            37            38            39            40 
      1  -0.458577D+01 -0.601579D+02 -0.144218D+02  0.810641D+01 -0.133529D+02
      2   0.788829D+00  0.251611D+02  0.835934D+01  0.908389D+00  0.718494D+01
      3   0.379694D+01  0.349969D+02  0.606250D+01 -0.901480D+01  0.616801D+01
      4   0.922446D+01 -0.181838D+02  0.889314D+01 -0.300964D+01  0.743874D+01
      5   0.938847D+01  0.109395D+02 -0.344069D+00  0.144150D+02 -0.215528D+01
      6   0.933434D+01  0.349526D+01 -0.759477D+01  0.419428D+01 -0.335384D+01
                41            42            43            44            45 
      1   0.200058D+02 -0.487071D+01 -0.474615D+01 -0.668070D+01  0.145880D+02
      2  -0.435969D+01  0.964106D+01  0.118973D+02  0.934192D+01 -0.137412D+02
      3  -0.156461D+02 -0.477035D+01 -0.715110D+01 -0.266123D+01 -0.846825D+00
      4   0.516901D+01  0.198781D+02 -0.807636D+01  0.166104D+02  0.803382D+01
      5   0.148068D+02  0.571430D+01  0.256585D+02  0.777689D+01 -0.122413D+02
      6   0.255287D+01 -0.139806D+02  0.704364D+01 -0.104729D+02 -0.293164D+01
                46            47            48            49            50 
      1  -0.171107D+02 -0.237155D+01 -0.343984D+01  0.427032D+01 -0.965547D+01
      2   0.391406D+01  0.126536D+01 -0.893693D+00 -0.543094D+01  0.154536D+02
      3   0.131967D+02  0.110619D+01  0.433353D+01  0.116062D+01 -0.579816D+01
      4   0.244559D+01  0.429673D+01 -0.881239D+00 -0.109775D+02 -0.183906D+01
      5  -0.710307D+01 -0.136268D+01  0.216012D+01 -0.420088D+01  0.140858D+01
      6  -0.316711D+01  0.791308D+00  0.986850D+00 -0.334005D+01  0.609211D+01
                51            52            53            54            55 
      1  -0.112501D+01 -0.623537D+01 -0.227372D+01 -0.853591D+01  0.902490D+02
      2   0.694285D+01 -0.102285D+01  0.424421D+01 -0.351520D+01 -0.451923D+02
      3  -0.581784D+01  0.725822D+01 -0.197049D+01  0.120511D+02 -0.450567D+02
      4   0.116046D+01 -0.497666D+01  0.211963D+01  0.158138D+01  0.215177D+02
      5   0.960621D+00  0.571186D+01  0.128833D+01 -0.875563D+00 -0.279878D+02
      6  -0.271987D+01  0.515446D+00  0.680474D+01 -0.300758D+01 -0.408119D+01
                56            57            58            59            60 
      1   0.931409D+01 -0.486149D+01  0.794381D+01  0.610152D+01  0.525496D+00
      2  -0.298850D+01  0.606654D+01 -0.201402D+01 -0.222318D+01 -0.321214D+00
      3  -0.632559D+01 -0.120505D+01 -0.592979D+01 -0.387834D+01 -0.204282D+00
      4   0.130496D+02 -0.189502D+01  0.144454D+02  0.525547D+01 -0.301875D+01
      5  -0.337849D+01  0.139364D+02 -0.274630D+01 -0.410560D+01  0.159934D+01
      6  -0.310612D+01  0.215885D+01 -0.258152D+01 -0.135396D+01  0.317103D+01
                61            62            63            64            65 
      1   0.636588D+01  0.143337D+01  0.551304D+01  0.450648D+01 -0.246343D+01
      2  -0.739955D+00 -0.555507D+00 -0.355995D+01 -0.280208D+01  0.117056D+01
      3  -0.562593D+01 -0.877862D+00 -0.195310D+01 -0.170440D+01  0.129287D+01
      4   0.212813D+01 -0.583313D+00  0.159567D+01 -0.170694D+01 -0.449148D+00
      5   0.860107D+01  0.795040D+00 -0.561632D+00 -0.228252D+01  0.191315D+01
      6   0.123384D+01  0.215307D+01  0.265167D-02  0.240500D+01  0.185147D+01
                66            67            68            69            70 
      1  -0.495462D+01 -0.616585D+01 -0.893139D+01 -0.546657D+01 -0.335998D+01
      2   0.392263D+00  0.430613D+01  0.168451D+01 -0.535560D+01  0.229771D+01
      3   0.456235D+01  0.185972D+01  0.724688D+01  0.108222D+02  0.106227D+01
      4   0.402022D+00  0.255171D+01 -0.190091D+02 -0.122384D+02  0.168248D+01
      5  -0.493638D+00  0.771424D+01 -0.101096D+02 -0.139572D+02  0.434419D+01
      6  -0.448517D-01 -0.359464D+00  0.133549D+02  0.107764D+02 -0.831024D+00
                71            72            73            74            75 
      1  -0.431866D+01 -0.103308D+02 -0.598061D+00  0.880154D+01 -0.761945D+01
      2  -0.434352D+01 -0.564522D+01  0.106867D+01 -0.561464D+01  0.133238D+01
      3   0.866218D+01  0.159761D+02 -0.470607D+00 -0.318691D+01  0.628707D+01
      4  -0.105626D+02 -0.872959D+01  0.232616D+01 -0.223730D+01  0.117303D+01
      5  -0.739532D+01 -0.132065D+02  0.205598D+00 -0.634129D+00 -0.222098D+01
      6   0.101441D+02  0.810892D+01 -0.385823D+01  0.568709D+01 -0.469173D+01
                76            77            78            79            80 
      1   0.858096D+01 -0.185188D+02  0.120657D+02 -0.342587D+01  0.996551D+01
      2  -0.487197D+01  0.146301D+02 -0.441462D+01  0.668086D+00 -0.279915D+01
      3  -0.370899D+01  0.388864D+01 -0.765109D+01  0.275779D+01 -0.716636D+01
      4   0.286957D+01  0.160234D+02 -0.110247D+02 -0.497307D+00 -0.888963D+01
      5  -0.442009D+01 -0.816084D+01  0.833044D+01  0.225442D+01  0.570832D+01
      6   0.126676D+01 -0.178610D+02  0.151490D+02 -0.131375D+01  0.132181D+02
                81            82            83            84            85 
      1  -0.149832D+02 -0.731372D+00  0.176216D+02  0.462266D+01 -0.550289D+01
      2   0.877373D+00 -0.583561D+00 -0.123254D+02  0.569165D+00  0.141459D+02
      3   0.141058D+02  0.131493D+01 -0.529623D+01 -0.519182D+01 -0.864300D+01
      4   0.644323D+01  0.117387D+02 -0.115157D+02 -0.266763D+00  0.356189D+01
      5  -0.914890D+01  0.344650D+01 -0.682948D+00 -0.287643D+01  0.292004D+01
      6  -0.124423D+02  0.224862D+01 -0.755170D+00 -0.671859D+01  0.793825D+01
                86            87            88            89            90 
      1   0.205919D+01  0.505101D+01 -0.195741D+01  0.617032D+01 -0.136991D+02
      2  -0.566720D+01 -0.307182D+01  0.704152D+01 -0.751762D+01  0.143805D+01
      3   0.360801D+01 -0.197919D+01 -0.508411D+01  0.134731D+01  0.122611D+02
      4   0.145720D+02  0.279479D+01  0.305758D+01  0.118918D+01  0.343187D+01
      5   0.263972D+01 -0.560767D+00  0.285522D+01  0.216362D+01 -0.681928D+00
      6  -0.554575D+01  0.558917D+01 -0.362750D+01  0.110867D+02 -0.503444D+00
                91            92            93            94            95 
      1   0.102737D+02 -0.220149D+02 -0.256008D+01  0.206621D+02  0.118077D+02
      2  -0.925314D+01  0.146278D+02  0.414738D+00 -0.190333D+02 -0.162430D+02
      3  -0.102054D+01  0.738702D+01  0.214534D+01 -0.162883D+01  0.443531D+01
      4  -0.156343D+02 -0.643766D+01 -0.342928D+01  0.109783D+02 -0.400392D+01
      5  -0.541838D+01 -0.212450D+01 -0.229026D+01 -0.206387D+00 -0.728622D+01
      6  -0.424591D+01 -0.179343D+01  0.470978D+01 -0.527623D+01 -0.113159D+02
                96            97            98            99           100 
      1   0.306178D+01  0.427114D+01  0.236588D+00 -0.548240D+01 -0.152977D+02
      2  -0.710785D+01 -0.746419D+01 -0.853234D+01 -0.541928D+01  0.903477D+01
      3   0.404607D+01  0.319305D+01  0.829575D+01  0.109017D+02  0.626296D+01
      4  -0.679272D+01 -0.386988D+01 -0.100732D+02  0.124701D+02 -0.263176D+01
      5   0.117708D+02  0.124120D+02  0.130737D+02  0.875835D+01 -0.478304D+01
      6   0.640928D+01  0.506536D+01  0.137429D+02  0.307093D+01  0.390122D+00
               101           102           103           104           105 
      1  -0.391901D+01 -0.556438D+01  0.987800D+01 -0.211698D+02 -0.739882D+01
      2   0.281222D+01  0.198963D+01 -0.883724D+01  0.197068D+02  0.101596D+02
      3   0.110679D+01  0.357476D+01 -0.104076D+01  0.146303D+01 -0.276078D+01
      4   0.227216D+02 -0.945016D-01 -0.196043D+02 -0.380734D+01 -0.352916D+01
      5  -0.430716D+00  0.201562D+02 -0.122103D+02 -0.131666D+01  0.233642D+01
      6   0.207869D+00  0.247459D+01 -0.295554D+01  0.441322D+01 -0.455957D+01
               106           107           108           109           110 
      1  -0.389851D+01 -0.791081D+01  0.124380D+02 -0.148504D+01  0.243813D+02
      2  -0.320274D+00  0.590118D+01 -0.159658D+02 -0.213800D+01 -0.152938D+02
      3   0.421879D+01  0.200963D+01  0.352786D+01  0.362304D+01 -0.908750D+01
      4  -0.123092D+02 -0.101090D+01  0.188072D+01  0.168573D+02  0.254507D+01
      5   0.343789D+02  0.298998D+01  0.554679D+01  0.186155D+00  0.608945D+00
      6   0.134446D+01  0.655963D+01 -0.398358D+01  0.938954D+00 -0.135519D+01
               111           112           113           114           115 
      1   0.528886D+01 -0.264843D+02  0.449032D+01  0.138593D+01 -0.745292D+01
      2   0.553334D+00  0.262645D+02 -0.850410D+01 -0.169669D+01  0.950012D+01
      3  -0.584220D+01  0.219738D+00  0.401379D+01  0.310762D+00 -0.204720D+01
      4   0.210933D+01  0.168026D+01  0.104253D+02  0.934782D+01 -0.190143D+01
      5   0.573823D+01 -0.462941D+01  0.796369D+01 -0.135573D+02  0.189543D+02
      6  -0.760111D+01  0.732255D+01 -0.658786D+01  0.498392D+01 -0.589863D+01
               116           117           118           119           120 
      1   0.423186D+01  0.196154D+01  0.123746D+02 -0.122120D+02  0.977992D-01
      2  -0.806719D+01 -0.879740D+01 -0.805862D+01  0.929657D+01 -0.100573D+01
      3   0.383533D+01  0.683586D+01 -0.431600D+01  0.291542D+01  0.907932D+00
      4   0.860590D+01 -0.133565D+02 -0.745115D+01 -0.181418D+02 -0.304072D+01
      5  -0.138329D+02 -0.827212D+01  0.920990D+00 -0.207278D+01 -0.564337D+01
      6   0.120009D+02 -0.546225D+00 -0.210813D+01 -0.200908D+01  0.520809D+01
               121           122           123           124           125 
      1   0.453354D+00  0.933527D+01  0.425177D+01  0.175512D+01  0.381056D+01
      2  -0.915710D+01 -0.133232D+02 -0.784990D+01 -0.426969D+01 -0.103353D+02
      3   0.870375D+01  0.398797D+01  0.359812D+01  0.251457D+01  0.652474D+01
      4   0.113770D+02 -0.134737D+02 -0.192442D+01 -0.529543D+00 -0.311549D+01
      5  -0.762133D+00 -0.232254D+01 -0.114048D+01  0.369415D+01 -0.548405D+01
      6  -0.509059D+01 -0.103494D+02  0.457548D+01  0.165077D+01  0.124828D+02
               126           127           128           129           130 
      1  -0.150317D+02 -0.488720D+01  0.762127D+01  0.736948D+00  0.829292D+01
      2  -0.827762D+00  0.689164D+01 -0.107850D+02 -0.755505D+00 -0.113603D+02
      3   0.158595D+02 -0.200444D+01  0.316377D+01  0.185566D-01  0.306735D+01
      4  -0.696431D+01 -0.868576D+01  0.858589D+01  0.979169D+00  0.829727D+01
      5  -0.439903D+01 -0.119968D+01  0.959533D+00  0.188140D+01  0.117138D+01
      6   0.416913D+01  0.882447D+00 -0.121897D+01 -0.252639D+01 -0.232320D+01
               131           132           133           134           135 
      1  -0.204164D+02 -0.332819D+01  0.141285D+01 -0.355551D+01 -0.984489D+00
      2   0.278293D+02  0.266349D+01 -0.180370D+01  0.404734D+01  0.158305D+01
      3  -0.741294D+01  0.664695D+00  0.390852D+00 -0.491828D+00 -0.598561D+00
      4  -0.907461D+01 -0.933942D+00  0.116376D+01 -0.101666D+01 -0.202202D+01
      5  -0.123439D+01 -0.135855D+01  0.108431D+01 -0.729419D+00 -0.848576D+00
      6   0.440075D+01  0.506852D+01 -0.960839D+00  0.228586D+01  0.154547D+01
               136           137           138           139           140 
      1   0.545738D+01  0.459405D+01  0.896430D+00 -0.982967D+00 -0.155943D+02
      2   0.331480D+01  0.528632D+01  0.384969D+00  0.112994D+02  0.373713D+02
      3  -0.877218D+01 -0.988037D+01 -0.128140D+01 -0.103164D+02 -0.217770D+02
      4   0.185085D+02  0.232261D+02  0.497604D+01  0.239636D+02  0.464600D+02
      5   0.429412D+01  0.501509D+01  0.457164D+01  0.520205D+01  0.932982D+01
      6   0.327975D+01  0.389474D+01  0.293079D+01  0.517463D+01  0.127331D+02
               141           142           143           144           145 
      1  -0.342259D+01  0.124303D+00 -0.289073D+01 -0.179693D+01  0.100356D+03
      2   0.531490D+01  0.201452D+01  0.716288D+01  0.300385D+01 -0.564430D+02
      3  -0.189231D+01 -0.213883D+01 -0.427215D+01 -0.120692D+01 -0.439129D+02
      4   0.939558D+01  0.609275D+01  0.113431D+02  0.411625D+01  0.130921D+02
      5   0.606967D+01  0.235217D+01  0.337251D+01  0.235379D+01  0.100740D+02
      6   0.885493D+01  0.237467D+01  0.496813D+01  0.338665D+01 -0.183646D+01
               146           147           148           149           150 
      1   0.889078D+01  0.638782D+01  0.696567D+01  0.945357D+01  0.178518D+01
      2  -0.440295D+01 -0.431816D+01 -0.304457D+01 -0.424843D+01 -0.142486D+01
      3  -0.448783D+01 -0.206966D+01 -0.392110D+01 -0.520515D+01 -0.360319D+00
      4   0.951320D+01  0.687014D+00  0.153298D+02  0.412576D+01  0.132897D+01
      5   0.746038D+00  0.102683D+02  0.364968D+01  0.151371D+01  0.140517D+01
      6   0.291410D+00  0.541719D+00  0.824247D+00  0.147231D-01  0.146972D+01
               151           152           153           154           155 
      1   0.749744D+01  0.195933D+01  0.361083D+01  0.214277D+02 -0.134755D+02
      2  -0.409420D+01 -0.987435D+00 -0.209731D+01 -0.347318D+01 -0.142022D+01
      3  -0.340324D+01 -0.971899D+00 -0.151351D+01 -0.179545D+02  0.148957D+02
      4   0.387005D+01  0.144814D+01  0.805126D+00 -0.328277D+02  0.304520D+02
      5   0.267750D+01  0.457656D+00  0.123687D+01 -0.548743D+01  0.391536D+01
      6   0.168626D+00  0.457703D+00  0.394163D+00  0.209131D+01 -0.170660D+01
               156           157           158           159           160 
      1  -0.235624D+01 -0.891825D+01  0.327050D+01  0.662084D+00 -0.749486D+00
      2   0.810968D+00 -0.650663D+01  0.170990D+02  0.865200D+00 -0.125511D+01
      3   0.154528D+01  0.154249D+02 -0.203695D+02 -0.152728D+01  0.200460D+01
      4   0.390670D+01  0.334412D+02 -0.438786D+02 -0.671191D+01  0.543167D+01
      5   0.582412D+01  0.591591D+01 -0.696917D+01 -0.578481D+01  0.252448D+01
      6  -0.313146D+01 -0.371855D+01  0.528735D+01  0.587124D+01 -0.191982D+01
               161           162           163           164           165 
      1  -0.294045D-01  0.750490D-01 -0.516654D+01 -0.878869D+01 -0.264406D+01
      2   0.278457D+01  0.120670D+01  0.658549D+01  0.104093D+02  0.179107D+01
      3  -0.275517D+01 -0.128175D+01 -0.141895D+01 -0.162064D+01  0.852989D+00
      4  -0.710488D+01 -0.334132D+01  0.375241D+01  0.735664D+01  0.137606D+01
      5  -0.259302D+01 -0.148500D+01  0.980308D+00  0.123774D+01  0.160259D+01
      6   0.264097D+01  0.173598D+01  0.247823D+01  0.356292D+01  0.267345D+01
               166           167           168           169           170 
      1  -0.777408D+01 -0.324128D+02 -0.786335D+01 -0.235581D+01 -0.803663D+01
      2   0.954062D+01  0.426753D+02  0.738958D+01  0.265074D+01  0.956451D+01
      3  -0.176654D+01 -0.102625D+02  0.473771D+00 -0.294932D+00 -0.152788D+01
      4   0.517114D+01 -0.551496D+00 -0.612107D+00  0.145331D+01  0.588008D-01
      5   0.955383D+00 -0.624948D+00  0.310526D-01  0.668834D+00  0.568268D+00
      6   0.302063D+01  0.125092D+02  0.863438D+01  0.112708D+01  0.501446D+01
               171 
      1  -0.339363D+01
      2   0.392051D+01
      3  -0.526878D+00
      4   0.140081D+01
      5   0.641542D+00
      6   0.346339D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:30:11 2021, MaxMem=  5368709120 cpu:           11958.1 elap:            1498.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.47561 -10.49360 -10.45020 -10.44681 -10.44603
 Alpha  occ. eigenvalues --  -10.44580 -10.44489 -10.44297 -10.42598  -1.16462
 Alpha  occ. eigenvalues --   -1.00870  -0.92217  -0.88954  -0.86632  -0.76423
 Alpha  occ. eigenvalues --   -0.73883  -0.70829  -0.65522  -0.62904  -0.59140
 Alpha  occ. eigenvalues --   -0.56115  -0.55146  -0.53653  -0.53350  -0.49647
 Alpha  occ. eigenvalues --   -0.49182  -0.48289  -0.47120  -0.44838  -0.43095
 Alpha  occ. eigenvalues --   -0.39726  -0.35616  -0.34653
 Alpha virt. eigenvalues --   -0.01278  -0.00406  -0.00124   0.00485   0.01387
 Alpha virt. eigenvalues --    0.01570   0.02441   0.03265   0.04036   0.04300
 Alpha virt. eigenvalues --    0.05001   0.05250   0.06181   0.06784   0.07908
 Alpha virt. eigenvalues --    0.08744   0.09577   0.09806   0.09963   0.10295
 Alpha virt. eigenvalues --    0.10937   0.11408   0.11853   0.12431   0.12839
 Alpha virt. eigenvalues --    0.13153   0.13197   0.13505   0.13785   0.14315
 Alpha virt. eigenvalues --    0.14503   0.15464   0.15544   0.16847   0.17174
 Alpha virt. eigenvalues --    0.18467   0.19762   0.20796   0.21450   0.23215
 Alpha virt. eigenvalues --    0.23890   0.24797   0.25862   0.26294   0.26530
 Alpha virt. eigenvalues --    0.26872   0.27291   0.27629   0.28943   0.29279
 Alpha virt. eigenvalues --    0.30380   0.30470   0.30940   0.31184   0.31971
 Alpha virt. eigenvalues --    0.32336   0.33259   0.34494   0.35011   0.35635
 Alpha virt. eigenvalues --    0.36141   0.36535   0.37201   0.38448   0.38590
 Alpha virt. eigenvalues --    0.39180   0.39701   0.40818   0.41389   0.42760
 Alpha virt. eigenvalues --    0.44235   0.44574   0.45640   0.46977   0.47751
 Alpha virt. eigenvalues --    0.47887   0.48886   0.49177   0.49694   0.49889
 Alpha virt. eigenvalues --    0.50561   0.51227   0.51934   0.52835   0.53608
 Alpha virt. eigenvalues --    0.54276   0.55041   0.55771   0.56211   0.56748
 Alpha virt. eigenvalues --    0.57927   0.58869   0.59440   0.59742   0.60192
 Alpha virt. eigenvalues --    0.60852   0.61224   0.61445   0.62983   0.63469
 Alpha virt. eigenvalues --    0.63902   0.64480   0.65272   0.66927   0.67114
 Alpha virt. eigenvalues --    0.67697   0.68040   0.68887   0.69880   0.70614
 Alpha virt. eigenvalues --    0.71646   0.71837   0.72340   0.73675   0.74200
 Alpha virt. eigenvalues --    0.74653   0.76099   0.76838   0.77396   0.79119
 Alpha virt. eigenvalues --    0.79973   0.82500   0.82669   0.83095   0.84054
 Alpha virt. eigenvalues --    0.84229   0.84366   0.85041   0.86134   0.87032
 Alpha virt. eigenvalues --    0.88375   0.89336   0.89792   0.91034   0.91941
 Alpha virt. eigenvalues --    0.93161   0.94895   0.95811   0.96502   1.00821
 Alpha virt. eigenvalues --    1.01803   1.02251   1.03950   1.04307   1.06775
 Alpha virt. eigenvalues --    1.07920   1.10812   1.12321   1.14645   1.16850
 Alpha virt. eigenvalues --    1.16997   1.19707   1.21767   1.22834   1.26698
 Alpha virt. eigenvalues --    1.28489   1.35465   1.36215   1.37071   1.39161
 Alpha virt. eigenvalues --    1.40188   1.40936   1.42151   1.43458   1.44839
 Alpha virt. eigenvalues --    1.45723   1.46390   1.47041   1.47886   1.48807
 Alpha virt. eigenvalues --    1.49115   1.51630   1.53167   1.57228   1.57555
 Alpha virt. eigenvalues --    1.58362   1.59674   1.60933   1.62574   1.62721
 Alpha virt. eigenvalues --    1.64014   1.65437   1.67034   1.70556   1.72535
 Alpha virt. eigenvalues --    1.73123   1.74690   1.74867   1.76108   1.77149
 Alpha virt. eigenvalues --    1.78817   1.79469   1.80433   1.81516   1.82509
 Alpha virt. eigenvalues --    1.84591   1.86222   1.88610   1.90116   1.91289
 Alpha virt. eigenvalues --    1.92492   1.93769   1.94468   1.94879   1.97552
 Alpha virt. eigenvalues --    1.98561   2.01677   2.03322   2.04530   2.06293
 Alpha virt. eigenvalues --    2.07004   2.07524   2.09672   2.10890   2.11504
 Alpha virt. eigenvalues --    2.13682   2.14865   2.17263   2.17490   2.18839
 Alpha virt. eigenvalues --    2.19887   2.22527   2.24449   2.26013   2.26487
 Alpha virt. eigenvalues --    2.30111   2.32797   2.35179   2.36172   2.38434
 Alpha virt. eigenvalues --    2.41938   2.44974   2.49814   2.50504   2.54069
 Alpha virt. eigenvalues --    2.56540   2.57393   2.60045   2.60847   2.63548
 Alpha virt. eigenvalues --    2.65718   2.68286   2.72929   2.73129   2.77945
 Alpha virt. eigenvalues --    2.80642   2.86253   2.89572   2.92351   2.94659
 Alpha virt. eigenvalues --    3.03906   3.06103   3.09110   3.12533   3.21015
 Alpha virt. eigenvalues --    3.40880   3.51447   3.54638   3.55317   3.61086
 Alpha virt. eigenvalues --    3.63573   3.68705   4.10425   4.54374
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.190662  -0.211548   0.211522   0.041765  -0.085009   0.248723
     2  C   -0.211548  10.817537   0.151197  -1.174525   0.288310  -0.824417
     3  H    0.211522   0.151197   0.691260  -0.047403  -0.010243  -0.070089
     4  H    0.041765  -1.174525  -0.047403   2.158679   0.140015   0.419892
     5  C   -0.085009   0.288310  -0.010243   0.140015   4.949265   0.184939
     6  C    0.248723  -0.824417  -0.070089   0.419892   0.184939  23.087221
     7  H   -0.049250   0.168038   0.002703  -0.034584   0.050864   0.267318
     8  H   -0.055370  -0.136526   0.008604   0.105294   0.461154  -0.182679
     9  H    0.079923  -0.009216  -0.005311  -0.082332   0.208989  -0.064403
    10  C    0.100401  -1.245451  -0.068156  -0.159041  -0.656737 -11.246285
    11  C   -0.045848  -0.089163   0.008774  -0.027080   0.323806   6.126569
    12  C    0.001189  -0.023441  -0.013382   0.008155  -0.187228  -6.880143
    13  C   -0.013314  -0.092502   0.021028   0.054653   0.266460   5.702634
    14  C   -0.077847  -2.438921   0.029382   0.107382  -0.487188 -13.428856
    15  H   -0.050794   0.153601  -0.000159   0.013081   0.065002   0.984122
    16  H   -0.001756   0.026500  -0.001030   0.000335   0.004374  -0.295968
    17  H    0.000572  -0.013882  -0.000096   0.000923  -0.003575   0.105072
    18  H   -0.000273   0.030567   0.000701   0.002796   0.001974  -0.260131
    19  H    0.000363   0.215985   0.001483  -0.065040   0.045346   1.301627
               7          8          9         10         11         12
     1  O   -0.049250  -0.055370   0.079923   0.100401  -0.045848   0.001189
     2  C    0.168038  -0.136526  -0.009216  -1.245451  -0.089163  -0.023441
     3  H    0.002703   0.008604  -0.005311  -0.068156   0.008774  -0.013382
     4  H   -0.034584   0.105294  -0.082332  -0.159041  -0.027080   0.008155
     5  C    0.050864   0.461154   0.208989  -0.656737   0.323806  -0.187228
     6  C    0.267318  -0.182679  -0.064403 -11.246285   6.126569  -6.880143
     7  H    1.421188  -0.340931  -0.266098  -0.038213   0.019098  -0.010090
     8  H   -0.340931   1.554587  -0.287956  -0.043676   0.029703  -0.003745
     9  H   -0.266098  -0.287956   1.507868   0.028958  -0.017963   0.004987
    10  C   -0.038213  -0.043676   0.028958  25.614500  -9.591987   6.344132
    11  C    0.019098   0.029703  -0.017963  -9.591987  18.567354  -8.039780
    12  C   -0.010090  -0.003745   0.004987   6.344132  -8.039780  15.746533
    13  C    0.015974   0.008812  -0.010718  -7.142510   6.942226  -8.019986
    14  C   -0.095502   0.063153   0.046004   4.399389  -7.825368   6.903391
    15  H    0.006011  -0.029241   0.007464  -2.346613   0.653868  -0.140650
    16  H    0.000677   0.002062  -0.001590   1.213881  -1.727099   0.685874
    17  H   -0.000253   0.000227   0.000274  -0.134987   0.786305  -1.538963
    18  H    0.001105  -0.000552  -0.001688   0.112499  -0.244516   0.725080
    19  H   -0.003816   0.012129  -0.010202   0.035345   0.059529  -0.170433
              13         14         15         16         17         18
     1  O   -0.013314  -0.077847  -0.050794  -0.001756   0.000572  -0.000273
     2  C   -0.092502  -2.438921   0.153601   0.026500  -0.013882   0.030567
     3  H    0.021028   0.029382  -0.000159  -0.001030  -0.000096   0.000701
     4  H    0.054653   0.107382   0.013081   0.000335   0.000923   0.002796
     5  C    0.266460  -0.487188   0.065002   0.004374  -0.003575   0.001974
     6  C    5.702634 -13.428856   0.984122  -0.295968   0.105072  -0.260131
     7  H    0.015974  -0.095502   0.006011   0.000677  -0.000253   0.001105
     8  H    0.008812   0.063153  -0.029241   0.002062   0.000227  -0.000552
     9  H   -0.010718   0.046004   0.007464  -0.001590   0.000274  -0.001688
    10  C   -7.142510   4.399389  -2.346613   1.213881  -0.134987   0.112499
    11  C    6.942226  -7.825368   0.653868  -1.727099   0.786305  -0.244516
    12  C   -8.019986   6.903391  -0.140650   0.685874  -1.538963   0.725080
    13  C   18.008033  -9.236082   0.061765  -0.287571   0.746279  -1.631561
    14  C   -9.236082  28.836698  -0.115828   0.138380  -0.179840   1.021544
    15  H    0.061765  -0.115828   2.758353  -0.137023  -0.024769   0.013857
    16  H   -0.287571   0.138380  -0.137023   1.986161  -0.079070  -0.028772
    17  H    0.746279  -0.179840  -0.024769  -0.079070   1.931982  -0.071113
    18  H   -1.631561   1.021544   0.013857  -0.028772  -0.071113   1.952619
    19  H    0.467206  -2.463421  -0.044705   0.014954  -0.026697  -0.124820
              19
     1  O    0.000363
     2  C    0.215985
     3  H    0.001483
     4  H   -0.065040
     5  C    0.045346
     6  C    1.301627
     7  H   -0.003816
     8  H    0.012129
     9  H   -0.010202
    10  C    0.035345
    11  C    0.059529
    12  C   -0.170433
    13  C    0.467206
    14  C   -2.463421
    15  H   -0.044705
    16  H    0.014954
    17  H   -0.026697
    18  H   -0.124820
    19  H    2.492179
 Mulliken charges:
               1
     1  O   -0.284111
     2  C    0.407856
     3  H    0.089216
     4  H   -0.462966
     5  C    0.439480
     6  C    0.824854
     7  H   -0.114237
     8  H   -0.165047
     9  H   -0.126991
    10  C    0.824549
    11  C    0.091572
    12  C    0.608501
    13  C    0.139173
    14  C    0.803531
    15  H   -0.827343
    16  H   -0.513319
    17  H   -0.498391
    18  H   -0.499315
    19  H   -0.737011
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.194895
     2  C   -0.055109
     5  C    0.033204
     6  C    0.824854
    10  C   -0.002794
    11  C   -0.421748
    12  C    0.110110
    13  C   -0.360142
    14  C    0.066519
 Electronic spatial extent (au):  <R**2>=           1266.6686
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1884    Y=             -0.8044    Z=             -0.3656  Tot=              1.4809
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.5275   YY=            -50.7627   ZZ=            -54.5077
   XY=              2.7521   XZ=             -0.0748   YZ=              0.9634
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.9283   YY=              2.8366   ZZ=             -0.9084
   XY=              2.7521   XZ=             -0.0748   YZ=              0.9634
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.8924  YYY=              2.2893  ZZZ=            -11.3689  XYY=              2.6929
  XXY=             -7.7508  XXZ=              5.0269  XZZ=            -13.6921  YZZ=              4.1156
  YYZ=             -1.8669  XYZ=              2.3599
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1158.6512 YYYY=           -332.2051 ZZZZ=           -177.6376 XXXY=             18.0815
 XXXZ=             -5.8730 YYYX=             -3.9927 YYYZ=              5.9360 ZZZX=             21.3445
 ZZZY=            -12.4933 XXYY=           -247.5142 XXZZ=           -236.1482 YYZZ=            -88.9779
 XXYZ=              7.7524 YYXZ=              5.0443 ZZXY=             -6.9743
 N-N= 4.256499884117D+02 E-N=-1.748526568315D+03  KE= 3.834191479050D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:30:11 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30597404D-01-2.82856063D-01-1.67595774D-01
 Polarizability= 1.19740572D+02 9.78013254D-01 9.74025097D+01
                 3.90203320D-01 5.10432669D+00 6.74324891D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.2610   -0.2614        0.4482    0.4429
 2      0.2610    0.2614       -2.5817   -2.5838      -11.8666  -11.8435
 3     -0.4482   -0.4429       26.8337   26.8207        2.5824    2.5838
 4      2.5817    2.5838       -0.0000    0.0000       -0.4503   -0.4429
 5    -14.9671  -14.9772        0.4503    0.4429       -0.2634   -0.2614
 6     -2.5824   -2.5838        0.2634    0.2614        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7842    0.7842        1.3286    1.3286
 2      7.7513    7.7513       -0.0000    0.0000        1.3286    1.3286
 3      7.7513    7.7513        0.7842    0.7842       -0.0000    0.0000
 4      0.7842    0.7842       -7.7513   -7.7513      -35.5304  -35.5304
 5     -1.3286   -1.3286       80.4620   80.4620        7.7513    7.7513
 6    -44.9317  -44.9317        1.3286    1.3286       -0.7842   -0.7842
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0345    0.0000        1.0576    1.0456       -2.0002   -1.7715
 2     -1.0121   -1.0456       10.0457   10.3351       47.2436   47.3738
 3      1.8607    1.7715     -106.8537 -107.2827      -10.1231  -10.3351
 4     -9.6422  -10.3351       -0.0141    0.0000        1.5767    1.7715
 5     59.9227   59.9089       -1.2367   -1.7715        0.5674    1.0456
 6     10.5294   10.3351       -1.2996   -1.0456       -0.1438    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1438    0.0000       -3.3247   -3.2212       -7.7513   -8.0573
 2      3.1150    3.2212      -45.8273  -46.3815      -26.3351  -27.5057
 3      7.8247    8.0573      -21.8026  -22.1450       47.7267   46.3815
 4     46.6703   46.3815        0.1985    0.0000        7.9014    8.0573
 5     49.3045   49.6507       -7.9885   -8.0573       -3.4344   -3.2212
 6    -46.5151  -46.3815        3.1523    3.2212       -0.5950    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     27.6806   27.6993        7.0068    7.0995       22.3114   22.4849
 2     99.3772   99.0445        3.4661    3.0757       21.9889   22.4849
 3     99.2604   99.0445        7.4435    7.0995       20.7311   21.0322
 4      4.0802    4.0238      -71.4437  -71.3452      -32.5277  -33.1735
 5     -1.5429   -1.4527      -39.7688  -39.3806       71.7539   71.3452
 6     71.8098   72.5541        1.0072    1.4527       -4.9798   -4.0238
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.8089   -0.4215   -0.0005   -0.0002    0.0002    1.4241
 Low frequencies ---   43.0112  128.5765  208.3018
 Diagonal vibrational polarizability:
       26.4278951       9.1330609      23.0022617
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.0060               128.5765               208.3017
 Red. masses --      3.4412                 3.4053                 2.2256
 Frc consts  --      0.0037                 0.0332                 0.0569
 IR Inten    --      0.8160                 0.1614                 0.2897
 RamAct Fr= 1--      3.8895                 4.3441                 0.2838
  Dep-P Fr= 1--      0.7490                 0.7460                 0.2741
  Dep-U Fr= 1--      0.8565                 0.8545                 0.4303
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0031
 Beta2  Fr= 1--      0.5552                 0.6187                 0.0204
 AlphaG Fr= 1--      0.0006                 0.0005                -0.0017
 Gamma2 Fr= 1--     -0.2587                -0.4475                -0.1135
 Delta2 Fr= 1--     -0.4863                -0.1610                -0.0501
 Raman1 Fr= 1--      15.558                 17.376                  1.135
 ROA1   Fr= 1--     -40.396                -48.115                -12.501
 CID1   Fr= 1--      -2.597                 -2.769                -11.013
 Raman2 Fr= 1--       6.663                  7.424                  0.244
 ROA2   Fr= 1--      -2.318                 -9.453                 -2.323
 CID2   Fr= 1--      -0.348                 -1.273                 -9.512
 Raman3 Fr= 1--      13.325                 14.848                  0.488
 ROA3   Fr= 1--     -40.396                -48.115                -12.501
 CID3   Fr= 1--      -3.032                 -3.240                -25.594
 RC180  Fr= 1--       0.713                  0.709                 -0.139
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.14  -0.15    -0.14  -0.05   0.01     0.11   0.09   0.04
     2   6    -0.00  -0.04   0.07    -0.00   0.01  -0.04    -0.01  -0.03  -0.01
     3   1     0.10  -0.27  -0.14    -0.31  -0.10  -0.09     0.17   0.12   0.08
     4   1    -0.00  -0.13   0.23    -0.05  -0.03   0.04    -0.16   0.01  -0.02
     5   6    -0.04   0.23   0.07     0.23   0.07   0.08     0.05   0.07   0.03
     6   6    -0.00  -0.03   0.05    -0.00   0.04  -0.18    -0.01  -0.12  -0.05
     7   1    -0.04   0.23   0.07     0.22  -0.01   0.29    -0.02   0.54   0.10
     8   1    -0.04   0.33  -0.09     0.28   0.12  -0.02     0.48  -0.08   0.13
     9   1    -0.07   0.32   0.23     0.38   0.13   0.07    -0.26  -0.17  -0.11
    10   6    -0.02  -0.05   0.17    -0.00   0.02  -0.11    -0.09  -0.09  -0.05
    11   6    -0.02  -0.03   0.13    -0.01  -0.03   0.08    -0.12   0.01  -0.01
    12   6     0.00   0.01  -0.03    -0.03  -0.05   0.20    -0.05   0.06   0.02
    13   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.04   0.03   0.01
    14   6     0.02   0.01  -0.12    -0.01   0.03  -0.14     0.05  -0.08  -0.03
    15   1    -0.04  -0.08   0.29     0.00   0.03  -0.15    -0.16  -0.14  -0.07
    16   1    -0.04  -0.04   0.23    -0.01  -0.05   0.18    -0.19   0.04  -0.00
    17   1     0.00   0.03  -0.07    -0.04  -0.10   0.39    -0.06   0.13   0.06
    18   1     0.04   0.07  -0.29    -0.03  -0.04   0.11     0.10   0.07   0.04
    19   1     0.03   0.03  -0.21    -0.01   0.04  -0.21     0.12  -0.11  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    252.9601               306.7412               330.7528
 Red. masses --      1.3608                 3.1480                 1.2919
 Frc consts  --      0.0513                 0.1745                 0.0833
 IR Inten    --      4.6172                 2.1068                95.9145
 RamAct Fr= 1--      0.1094                 1.8988                 0.7907
  Dep-P Fr= 1--      0.2961                 0.2092                 0.4584
  Dep-U Fr= 1--      0.4569                 0.3460                 0.6287
 Alpha2 Fr= 1--      0.0011                 0.0252                 0.0047
 Beta2  Fr= 1--      0.0083                 0.1095                 0.0829
 AlphaG Fr= 1--      0.0023                -0.0075                 0.0031
 Gamma2 Fr= 1--     -0.0131                -0.8442                -0.5102
 Delta2 Fr= 1--      0.0327                -0.2364                -0.4750
 Raman1 Fr= 1--       0.437                  7.595                  3.163
 ROA1   Fr= 1--      -0.210                -88.605                -64.177
 CID1   Fr= 1--      -0.481                -11.666                -20.291
 Raman2 Fr= 1--       0.100                  1.314                  0.994
 ROA2   Fr= 1--      -0.576                -18.369                 -8.444
 CID2   Fr= 1--      -5.760                -13.981                 -8.493
 Raman3 Fr= 1--       0.200                  2.628                  1.988
 ROA3   Fr= 1--      -0.210                -88.605                -64.177
 CID3   Fr= 1--      -1.052                -33.721                -32.276
 RC180  Fr= 1--      -0.086                 -0.308                  0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.08  -0.04     0.04   0.01  -0.13     0.04  -0.05  -0.03
     2   6     0.00   0.00   0.01     0.02   0.03  -0.09     0.01  -0.02   0.04
     3   1     0.03   0.02   0.03     0.22   0.12  -0.02     0.69   0.51   0.41
     4   1     0.06  -0.03   0.04     0.04   0.03  -0.09     0.04  -0.04   0.06
     5   6    -0.01  -0.02   0.00     0.25  -0.05  -0.00    -0.01  -0.02   0.04
     6   6     0.00   0.06   0.01    -0.03   0.04   0.03    -0.01   0.02   0.00
     7   1    -0.07   0.51  -0.02     0.23  -0.13   0.26     0.01  -0.11   0.02
     8   1     0.43  -0.27   0.25     0.34  -0.07   0.01    -0.09   0.01   0.02
     9   1    -0.40  -0.37  -0.23     0.45  -0.04  -0.15     0.05   0.03   0.07
    10   6     0.04   0.05   0.02    -0.06   0.01   0.15    -0.01   0.03  -0.05
    11   6     0.05   0.00   0.00    -0.05   0.00   0.04    -0.00   0.01  -0.03
    12   6     0.02  -0.02  -0.00    -0.08   0.01  -0.14    -0.03  -0.02   0.05
    13   6    -0.02  -0.00   0.00    -0.10  -0.03   0.03    -0.04  -0.00  -0.01
    14   6    -0.02   0.04   0.01    -0.09  -0.02   0.14    -0.03   0.02  -0.06
    15   1     0.07   0.07   0.03    -0.06  -0.00   0.23     0.01   0.04  -0.04
    16   1     0.08  -0.01  -0.00    -0.01  -0.02   0.04     0.01   0.01  -0.04
    17   1     0.03  -0.05  -0.00    -0.06   0.02  -0.33    -0.03  -0.05   0.12
    18   1    -0.05  -0.03  -0.00    -0.10  -0.03   0.04    -0.04  -0.01  -0.01
    19   1    -0.05   0.06   0.00    -0.15  -0.01   0.21    -0.05   0.04  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    365.9565               415.0659               486.0605
 Red. masses --      2.5350                 2.9362                 3.5055
 Frc consts  --      0.2000                 0.2980                 0.4879
 IR Inten    --     38.2350                 0.5618                 5.9583
 RamAct Fr= 1--      2.0198                 0.0176                 3.0798
  Dep-P Fr= 1--      0.4133                 0.6537                 0.1113
  Dep-U Fr= 1--      0.5849                 0.7906                 0.2003
 Alpha2 Fr= 1--      0.0143                 0.0000                 0.0524
 Beta2  Fr= 1--      0.1969                 0.0023                 0.1028
 AlphaG Fr= 1--     -0.0059                -0.0013                -0.0018
 Gamma2 Fr= 1--      0.4356                -0.1328                 0.0784
 Delta2 Fr= 1--      0.0396                -0.0133                -0.0426
 Raman1 Fr= 1--       8.079                  0.071                 12.319
 ROA1   Fr= 1--      43.081                -13.172                  6.160
 CID1   Fr= 1--       5.332               -186.727                  0.500
 Raman2 Fr= 1--       2.363                  0.028                  1.234
 ROA2   Fr= 1--      10.137                 -3.080                  2.222
 CID2   Fr= 1--       4.290               -110.446                  1.801
 Raman3 Fr= 1--       4.725                  0.056                  2.467
 ROA3   Fr= 1--      43.081                -13.172                  6.160
 CID3   Fr= 1--       9.117               -236.179                  2.497
 RC180  Fr= 1--       0.170                  0.581                 -0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.22   0.01  -0.03    -0.01  -0.01  -0.01     0.06  -0.11   0.21
     2   6     0.04   0.00   0.08    -0.01   0.00  -0.00     0.19  -0.12  -0.05
     3   1    -0.20  -0.66  -0.37     0.09   0.09   0.06    -0.17   0.05   0.12
     4   1     0.05  -0.01   0.10    -0.01   0.00   0.00     0.26  -0.11  -0.10
     5   6     0.00  -0.09   0.07    -0.00  -0.00   0.00     0.04   0.09  -0.16
     6   6    -0.01   0.05   0.06    -0.00   0.00  -0.01     0.07   0.07  -0.03
     7   1     0.00  -0.10   0.04    -0.00  -0.00   0.01     0.04   0.30  -0.40
     8   1    -0.01  -0.18   0.20     0.01  -0.00   0.00     0.06   0.23  -0.39
     9   1     0.01  -0.16  -0.04    -0.00  -0.00  -0.00    -0.25   0.16   0.16
    10   6    -0.02   0.08  -0.06     0.02   0.04  -0.21    -0.04   0.10   0.02
    11   6    -0.03   0.03  -0.02    -0.01  -0.05   0.20    -0.04   0.03   0.03
    12   6    -0.08  -0.04   0.07     0.01   0.00  -0.00    -0.12  -0.03  -0.05
    13   6    -0.08  -0.00  -0.06     0.02   0.04  -0.20    -0.08  -0.06   0.00
    14   6    -0.07   0.04  -0.05    -0.01  -0.04   0.21    -0.06   0.00   0.01
    15   1    -0.02   0.10  -0.17     0.03   0.09  -0.42    -0.07   0.07   0.04
    16   1     0.03   0.01  -0.05    -0.03  -0.10   0.45     0.05  -0.02   0.07
    17   1    -0.08  -0.09   0.16     0.01   0.00  -0.01    -0.12  -0.04  -0.09
    18   1    -0.09   0.00  -0.11     0.03   0.09  -0.43    -0.07  -0.05   0.03
    19   1    -0.13   0.08  -0.11    -0.02  -0.10   0.45    -0.18   0.04   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.7200               620.3149               637.8217
 Red. masses --      2.9885                 3.9987                 6.3591
 Frc consts  --      0.5360                 0.9066                 1.5242
 IR Inten    --     17.7591                 8.2829                 0.3923
 RamAct Fr= 1--      0.4613                 1.1597                 4.5993
  Dep-P Fr= 1--      0.2799                 0.6866                 0.7385
  Dep-U Fr= 1--      0.4374                 0.8142                 0.8496
 Alpha2 Fr= 1--      0.0050                 0.0013                 0.0009
 Beta2  Fr= 1--      0.0336                 0.1574                 0.6513
 AlphaG Fr= 1--      0.0016                -0.0020                -0.0041
 Gamma2 Fr= 1--      0.0789                 0.1653                -0.0192
 Delta2 Fr= 1--     -0.0183                -0.0419                -0.0198
 Raman1 Fr= 1--       1.845                  4.639                 18.397
 ROA1   Fr= 1--       6.993                 14.531                 -2.474
 CID1   Fr= 1--       3.790                  3.132                 -0.134
 Raman2 Fr= 1--       0.404                  1.888                  7.815
 ROA2   Fr= 1--       2.041                  4.303                 -0.301
 CID2   Fr= 1--       5.057                  2.279                 -0.039
 Raman3 Fr= 1--       0.807                  3.777                 15.630
 ROA3   Fr= 1--       6.993                 14.531                 -2.474
 CID3   Fr= 1--       8.664                  3.848                 -0.158
 RC180  Fr= 1--      -0.125                  0.628                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07   0.01   0.00    -0.12   0.01  -0.08    -0.02   0.03  -0.03
     2   6     0.01  -0.00  -0.07     0.18   0.22   0.11     0.02   0.04   0.02
     3   1    -0.11   0.13   0.00    -0.06   0.10  -0.02     0.01   0.04  -0.01
     4   1     0.09   0.04  -0.15     0.19   0.17   0.20     0.04   0.03   0.03
     5   6     0.08   0.03  -0.09     0.00   0.01   0.02    -0.01   0.00   0.03
     6   6    -0.01  -0.06   0.27     0.19  -0.04   0.01     0.01   0.13   0.03
     7   1     0.06   0.07   0.05     0.05  -0.14  -0.33    -0.00  -0.03  -0.01
     8   1     0.20   0.07  -0.19    -0.31  -0.16   0.38    -0.05  -0.03   0.09
     9   1     0.13   0.07  -0.07    -0.06  -0.13  -0.15    -0.00  -0.02  -0.02
    10   6    -0.01  -0.01   0.05     0.01   0.01   0.00    -0.26   0.18   0.01
    11   6    -0.00   0.02  -0.13    -0.05   0.11   0.02    -0.23  -0.25  -0.06
    12   6    -0.02  -0.04   0.18    -0.19   0.01  -0.01    -0.00  -0.14  -0.04
    13   6     0.02   0.02  -0.14     0.02  -0.10  -0.03     0.29  -0.22  -0.02
    14   6     0.00  -0.02   0.06     0.04  -0.21  -0.04     0.22   0.20   0.05
    15   1    -0.00   0.04  -0.24    -0.19  -0.13  -0.02    -0.16   0.25   0.05
    16   1     0.02   0.09  -0.48     0.03   0.07   0.03    -0.06  -0.33  -0.04
    17   1    -0.03  -0.03   0.21    -0.19   0.02   0.00    -0.06   0.28   0.06
    18   1     0.04   0.10  -0.48     0.21   0.04   0.01     0.18  -0.31  -0.02
    19   1     0.02   0.05  -0.23    -0.05  -0.17  -0.03     0.05   0.27   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    715.5722               778.1706               781.6813
 Red. masses --      1.7378                 2.0553                 3.0939
 Frc consts  --      0.5243                 0.7333                 1.1138
 IR Inten    --     43.1149                22.6151                 5.7145
 RamAct Fr= 1--      0.0674                 3.0812                12.0466
  Dep-P Fr= 1--      0.1648                 0.1613                 0.0134
  Dep-U Fr= 1--      0.2829                 0.2777                 0.0264
 Alpha2 Fr= 1--      0.0010                 0.0463                 0.2595
 Beta2  Fr= 1--      0.0032                 0.1426                 0.0530
 AlphaG Fr= 1--     -0.0010                 0.0060                -0.0332
 Gamma2 Fr= 1--     -0.0290                 0.4399                 0.3472
 Delta2 Fr= 1--     -0.0161                -0.0142                 0.2555
 Raman1 Fr= 1--       0.269                 12.325                 48.186
 ROA1   Fr= 1--      -3.300                 41.776                 41.509
 CID1   Fr= 1--     -12.250                  3.390                  0.861
 Raman2 Fr= 1--       0.038                  1.711                  0.636
 ROA2   Fr= 1--      -0.568                 10.671                  6.290
 CID2   Fr= 1--     -14.898                  6.235                  9.892
 Raman3 Fr= 1--       0.076                  3.423                  1.272
 ROA3   Fr= 1--      -3.300                 41.776                 41.509
 CID3   Fr= 1--     -43.303                 12.204                 32.641
 RC180  Fr= 1--      -0.434                 -0.445                 -0.947
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00    -0.02   0.03  -0.01     0.01   0.04  -0.02
     2   6     0.00  -0.00   0.00    -0.07  -0.06  -0.04    -0.12  -0.13  -0.08
     3   1    -0.00  -0.02  -0.01    -0.02   0.01  -0.02     0.04  -0.02  -0.01
     4   1    -0.02  -0.00   0.02    -0.01   0.00  -0.14    -0.17  -0.06  -0.16
     5   6    -0.00   0.00  -0.00    -0.02  -0.02  -0.01    -0.08  -0.04   0.09
     6   6     0.00   0.02  -0.10     0.02  -0.03   0.18     0.07   0.04  -0.14
     7   1     0.00  -0.01  -0.03    -0.06   0.04   0.28    -0.13   0.06   0.37
     8   1    -0.03  -0.01   0.02     0.18   0.05  -0.17     0.13   0.06  -0.14
     9   1    -0.02  -0.01   0.00     0.08   0.06   0.04    -0.03   0.06   0.22
    10   6    -0.01  -0.02   0.07     0.02   0.08  -0.06     0.03   0.13   0.09
    11   6     0.01   0.03  -0.14     0.03   0.07   0.03     0.07   0.15   0.02
    12   6    -0.00  -0.01   0.07    -0.05   0.02  -0.12    -0.12  -0.04   0.08
    13   6     0.01   0.03  -0.14     0.03  -0.06  -0.01     0.07  -0.11  -0.03
    14   6    -0.01  -0.01   0.07     0.03  -0.03  -0.09     0.05  -0.09   0.04
    15   1    -0.03  -0.09   0.47    -0.01   0.04   0.01    -0.02   0.11   0.01
    16   1    -0.02  -0.05   0.20     0.09  -0.06   0.46     0.29   0.14  -0.31
    17   1    -0.03  -0.12   0.56    -0.09  -0.12   0.47    -0.08   0.02  -0.36
    18   1    -0.02  -0.05   0.22     0.07  -0.11   0.49     0.22   0.05  -0.32
    19   1    -0.04  -0.11   0.51    -0.02  -0.04   0.04    -0.03  -0.04  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.7160               917.7069               931.9910
 Red. masses --      1.2479                 2.1663                 1.4618
 Frc consts  --      0.5472                 1.0749                 0.7481
 IR Inten    --      0.1457                 9.8239                 6.9443
 RamAct Fr= 1--      1.3910                 3.5388                 1.4816
  Dep-P Fr= 1--      0.6124                 0.7102                 0.5850
  Dep-U Fr= 1--      0.7596                 0.8306                 0.7381
 Alpha2 Fr= 1--      0.0035                 0.0024                 0.0046
 Beta2  Fr= 1--      0.1761                 0.4899                 0.1823
 AlphaG Fr= 1--      0.0012                -0.0066                -0.0027
 Gamma2 Fr= 1--     -0.2299                 0.1832                -1.4752
 Delta2 Fr= 1--     -0.1526                -0.2767                 0.2351
 Raman1 Fr= 1--       5.564                 14.155                  5.926
 ROA1   Fr= 1--     -26.957                  8.729               -134.099
 CID1   Fr= 1--      -4.845                  0.617                -22.627
 Raman2 Fr= 1--       2.113                  5.878                  2.187
 ROA2   Fr= 1--      -4.297                  6.609                -37.286
 CID2   Fr= 1--      -2.033                  1.124                -17.047
 Raman3 Fr= 1--       4.226                 11.756                  4.374
 ROA3   Fr= 1--     -26.957                  8.729               -134.099
 CID3   Fr= 1--      -6.378                  0.742                -30.655
 RC180  Fr= 1--       0.519                  0.661                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.11  -0.09     0.02  -0.04   0.03
     2   6    -0.01   0.00  -0.01     0.15  -0.08  -0.03    -0.03   0.02  -0.01
     3   1    -0.01  -0.01  -0.01    -0.06   0.11  -0.09     0.02  -0.00   0.03
     4   1    -0.01  -0.01   0.01     0.22   0.04  -0.22    -0.10  -0.03   0.08
     5   6    -0.00   0.00   0.00     0.00  -0.10   0.15    -0.00   0.03  -0.01
     6   6    -0.00   0.00  -0.00     0.04   0.01  -0.01    -0.01   0.01  -0.07
     7   1    -0.00  -0.00   0.01    -0.02   0.19  -0.09     0.01  -0.06  -0.03
     8   1    -0.00  -0.00   0.01    -0.02   0.13  -0.19    -0.06  -0.04   0.11
     9   1     0.01   0.00  -0.01    -0.35   0.05   0.64     0.05  -0.03  -0.14
    10   6     0.00   0.01  -0.06    -0.01  -0.04   0.02    -0.00  -0.00   0.08
    11   6     0.01   0.02  -0.08    -0.02  -0.05  -0.01     0.01   0.01   0.03
    12   6    -0.00   0.00  -0.01     0.02   0.01  -0.04     0.00   0.02  -0.09
    13   6    -0.00  -0.02   0.07    -0.05   0.05  -0.00     0.01  -0.01  -0.03
    14   6    -0.00  -0.02   0.08    -0.01   0.01   0.04    -0.00  -0.03   0.11
    15   1    -0.02  -0.08   0.44    -0.01  -0.01  -0.18     0.03   0.10  -0.42
    16   1    -0.03  -0.11   0.51    -0.08  -0.03   0.00     0.04   0.05  -0.17
    17   1    -0.01  -0.01   0.05     0.00  -0.06   0.22    -0.04  -0.12   0.56
    18   1     0.04   0.10  -0.47    -0.10   0.01   0.02     0.01  -0.03   0.12
    19   1     0.03   0.11  -0.50     0.00   0.07  -0.20     0.04   0.12  -0.56
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.0848               983.7900              1009.1588
 Red. masses --      1.3337                 1.2602                 2.2581
 Frc consts  --      0.7379                 0.7186                 1.3549
 IR Inten    --      0.0091                 1.1016                43.2370
 RamAct Fr= 1--      0.0255                 0.0906                13.7717
  Dep-P Fr= 1--      0.7059                 0.4878                 0.2561
  Dep-U Fr= 1--      0.8276                 0.6557                 0.4077
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.1605
 Beta2  Fr= 1--      0.0035                 0.0099                 0.9358
 AlphaG Fr= 1--      0.0012                -0.0011                -0.0897
 Gamma2 Fr= 1--      0.1212                 0.3083                 2.1779
 Delta2 Fr= 1--     -0.0404                -0.1499                 1.4485
 Raman1 Fr= 1--       0.102                  0.362                 55.087
 ROA1   Fr= 1--      10.340                 24.797                255.431
 CID1   Fr= 1--     101.325                 68.417                  4.637
 Raman2 Fr= 1--       0.042                  0.119                 11.230
 ROA2   Fr= 1--       3.232                  8.597                 40.681
 CID2   Fr= 1--      76.534                 72.346                  3.623
 Raman3 Fr= 1--       0.084                  0.238                 22.460
 ROA3   Fr= 1--      10.340                 24.797                255.431
 CID3   Fr= 1--     122.429                104.337                 11.373
 RC180  Fr= 1--       0.655                  0.311                 -0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.01   0.01     0.05  -0.10   0.04
     2   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.06   0.11  -0.15
     3   1    -0.02   0.00  -0.01     0.00   0.02   0.01    -0.25   0.28  -0.05
     4   1     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.33   0.11  -0.25
     5   6    -0.00  -0.00   0.00    -0.00   0.01   0.01    -0.15   0.01   0.08
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.06   0.03   0.00
     7   1    -0.01   0.01   0.02    -0.00  -0.01   0.00    -0.19  -0.05   0.63
     8   1     0.01   0.00  -0.01    -0.01  -0.01   0.03     0.15  -0.05   0.11
     9   1     0.00   0.01   0.01     0.00  -0.01  -0.02     0.20   0.06  -0.09
    10   6     0.01   0.01  -0.08    -0.00  -0.02   0.08     0.05  -0.08  -0.01
    11   6    -0.00  -0.01   0.04     0.01   0.02  -0.10    -0.03  -0.06  -0.01
    12   6    -0.00  -0.01   0.05    -0.00  -0.01   0.06    -0.06   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.00  -0.03    -0.02   0.03   0.01
    14   6    -0.01  -0.02   0.08    -0.00   0.00   0.01     0.02   0.05   0.00
    15   1    -0.02  -0.08   0.40     0.02   0.10  -0.54     0.03  -0.10  -0.00
    16   1     0.01   0.04  -0.18    -0.04  -0.13   0.62    -0.09  -0.03  -0.05
    17   1     0.02   0.07  -0.33     0.03   0.08  -0.41    -0.07   0.05   0.04
    18   1    -0.04  -0.14   0.63    -0.02  -0.06   0.26    -0.02   0.04  -0.03
    19   1     0.03   0.10  -0.47     0.00   0.03  -0.11    -0.03   0.06   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.1786              1053.5020              1070.5286
 Red. masses --      5.7173                 2.1794                 1.6888
 Frc consts  --      3.5472                 1.4252                 1.1403
 IR Inten    --      3.4614                 7.0778                17.2363
 RamAct Fr= 1--     42.4355                20.4176                 6.9639
  Dep-P Fr= 1--      0.0352                 0.0282                 0.0988
  Dep-U Fr= 1--      0.0680                 0.0549                 0.1798
 Alpha2 Fr= 1--      0.8682                 0.4247                 0.1223
 Beta2  Fr= 1--      0.4810                 0.1868                 0.2087
 AlphaG Fr= 1--      0.0526                 0.0282                 0.0144
 Gamma2 Fr= 1--     -0.9253                -0.1933                 0.2479
 Delta2 Fr= 1--     -0.3674                -0.1619                -0.6765
 Raman1 Fr= 1--     169.742                 81.670                 27.855
 ROA1   Fr= 1--    -100.585                -23.735                  2.151
 CID1   Fr= 1--      -0.593                 -0.291                  0.077
 Raman2 Fr= 1--       5.772                  2.242                  2.505
 ROA2   Fr= 1--     -19.269                 -3.343                 11.361
 CID2   Fr= 1--      -3.338                 -1.491                  4.536
 Raman3 Fr= 1--      11.544                  4.484                  5.009
 ROA3   Fr= 1--    -100.585                -23.735                  2.151
 CID3   Fr= 1--      -8.713                 -5.294                  0.429
 RC180  Fr= 1--      -0.864                 -0.890                 -0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.02     0.01  -0.01   0.00     0.02   0.01  -0.00
     2   6     0.05   0.05  -0.08     0.02   0.02  -0.02     0.03  -0.09  -0.14
     3   1    -0.13   0.14  -0.03    -0.04   0.05  -0.01    -0.28   0.35  -0.10
     4   1     0.10   0.06  -0.11     0.06   0.03  -0.04    -0.21  -0.19   0.11
     5   6    -0.06   0.01   0.05    -0.00  -0.01   0.02     0.02   0.08   0.09
     6   6     0.04   0.01   0.01    -0.02   0.00   0.00    -0.01  -0.06   0.04
     7   1    -0.07  -0.02   0.24    -0.00   0.02   0.00     0.09  -0.17  -0.25
     8   1     0.04  -0.03   0.08    -0.01   0.01   0.01    -0.32  -0.10   0.47
     9   1     0.07   0.02  -0.02    -0.03   0.00   0.05    -0.09  -0.13  -0.14
    10   6    -0.22   0.28   0.05    -0.03  -0.08  -0.02    -0.04   0.04  -0.01
    11   6    -0.03  -0.06  -0.02    -0.00   0.18   0.04     0.03   0.04   0.01
    12   6     0.36   0.05   0.03     0.13   0.02   0.01    -0.01  -0.05  -0.01
    13   6    -0.03   0.05   0.01     0.05  -0.18  -0.03    -0.03   0.02   0.00
    14   6    -0.14  -0.34  -0.09    -0.06   0.06   0.01     0.04   0.05  -0.00
    15   1    -0.20   0.30   0.06    -0.32  -0.30  -0.05    -0.13  -0.04   0.05
    16   1    -0.04  -0.04  -0.01    -0.36   0.34   0.03     0.15  -0.01   0.01
    17   1     0.37   0.06   0.04     0.15   0.02   0.02     0.02  -0.24  -0.07
    18   1    -0.02   0.05  -0.00    -0.24  -0.41  -0.11    -0.12  -0.04  -0.01
    19   1    -0.12  -0.36  -0.05    -0.39   0.19   0.03     0.17  -0.02   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1102.2961              1129.1320              1184.7885
 Red. masses --      1.7699                 1.9636                 1.1186
 Frc consts  --      1.2670                 1.4750                 0.9251
 IR Inten    --     31.8382                14.1938                 0.1026
 RamAct Fr= 1--      5.6757                 1.5351                 4.0688
  Dep-P Fr= 1--      0.1226                 0.7407                 0.7480
  Dep-U Fr= 1--      0.2184                 0.8510                 0.8558
 Alpha2 Fr= 1--      0.0940                 0.0002                 0.0001
 Beta2  Fr= 1--      0.2066                 0.2177                 0.5804
 AlphaG Fr= 1--      0.0662                 0.0056                 0.0001
 Gamma2 Fr= 1--      0.0145                -2.1036                 0.1166
 Delta2 Fr= 1--     -0.0552                -0.6974                 0.0391
 Raman1 Fr= 1--      22.703                  6.140                 16.275
 ROA1   Fr= 1--      -0.370               -224.258                 12.447
 CID1   Fr= 1--      -0.016                -36.522                  0.765
 Raman2 Fr= 1--       2.480                  2.613                  6.964
 ROA2   Fr= 1--       0.790                -44.906                  2.486
 CID2   Fr= 1--       0.319                -17.187                  0.357
 Raman3 Fr= 1--       4.959                  5.226                 13.929
 ROA3   Fr= 1--      -0.370               -224.258                 12.447
 CID3   Fr= 1--      -0.075                -42.916                  0.894
 RC180  Fr= 1--      -0.563                  0.702                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.04   0.01     0.03  -0.09   0.03     0.00   0.00   0.00
     2   6    -0.04   0.04  -0.11    -0.07   0.19  -0.06    -0.00  -0.01  -0.00
     3   1    -0.07   0.06  -0.02     0.13  -0.19   0.07     0.00  -0.00  -0.00
     4   1    -0.12   0.03  -0.08    -0.07   0.30  -0.26    -0.00  -0.01   0.01
     5   6     0.06  -0.01   0.07     0.05  -0.07   0.04     0.00   0.00   0.00
     6   6    -0.08   0.02   0.04    -0.05  -0.02   0.01     0.00   0.00   0.00
     7   1     0.09   0.04  -0.32     0.04   0.19  -0.20     0.00  -0.01  -0.01
     8   1    -0.22   0.03   0.09    -0.08   0.11  -0.19    -0.01  -0.00   0.01
     9   1    -0.22  -0.06   0.20    -0.21   0.02   0.36    -0.00  -0.01  -0.01
    10   6     0.09  -0.01  -0.00    -0.07   0.01  -0.01    -0.00  -0.01  -0.00
    11   6    -0.02  -0.03  -0.01     0.04   0.04   0.01     0.04  -0.02  -0.00
    12   6    -0.03   0.06   0.01    -0.01  -0.04  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.05  -0.01    -0.01   0.02   0.00    -0.04  -0.03  -0.01
    14   6    -0.07  -0.04  -0.03     0.07   0.01   0.00     0.01  -0.01  -0.00
    15   1     0.43   0.24   0.11    -0.24  -0.11  -0.01    -0.14  -0.11  -0.03
    16   1    -0.13   0.01   0.00     0.24  -0.03   0.01     0.44  -0.19  -0.01
    17   1    -0.08   0.42   0.08     0.03  -0.30  -0.06    -0.09   0.67   0.13
    18   1     0.29   0.09   0.05    -0.08  -0.03  -0.01    -0.38  -0.28  -0.09
    19   1    -0.29   0.02   0.03     0.39  -0.12   0.02     0.14  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1201.7799              1222.3006              1280.2328
 Red. masses --      1.1401                 2.3042                 1.2835
 Frc consts  --      0.9701                 2.0283                 1.2394
 IR Inten    --      0.3290                 1.9461                48.3717
 RamAct Fr= 1--      6.1506                21.6713                 2.7322
  Dep-P Fr= 1--      0.3945                 0.0586                 0.4645
  Dep-U Fr= 1--      0.5658                 0.1108                 0.6344
 Alpha2 Fr= 1--      0.0465                 0.4194                 0.0158
 Beta2  Fr= 1--      0.5800                 0.4000                 0.2889
 AlphaG Fr= 1--     -0.0064                -0.0297                -0.0225
 Gamma2 Fr= 1--      0.2423                 0.8065                -0.9964
 Delta2 Fr= 1--      0.2498                 0.6048                 0.0961
 Raman1 Fr= 1--      24.603                 86.685                 10.929
 ROA1   Fr= 1--      31.252                 96.773                -92.580
 CID1   Fr= 1--       1.270                  1.116                 -8.471
 Raman2 Fr= 1--       6.960                  4.800                  3.467
 ROA2   Fr= 1--       3.817                 14.517                -24.683
 CID2   Fr= 1--       0.548                  3.024                 -7.120
 Raman3 Fr= 1--      13.919                  9.601                  6.933
 ROA3   Fr= 1--      31.252                 96.773                -92.580
 CID3   Fr= 1--       2.245                 10.080                -13.353
 RC180  Fr= 1--       0.132                 -0.778                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.02  -0.01   0.02     0.04  -0.03  -0.02
     2   6     0.02   0.00   0.01    -0.11  -0.01  -0.06    -0.02   0.06   0.04
     3   1    -0.03   0.02  -0.01     0.27  -0.33   0.11    -0.38   0.49  -0.14
     4   1     0.06  -0.01   0.02    -0.47   0.13  -0.17    -0.41  -0.12   0.46
     5   6    -0.01  -0.00  -0.00     0.03   0.02   0.01    -0.00  -0.08  -0.03
     6   6    -0.04  -0.00  -0.01     0.27  -0.00   0.03     0.05  -0.05  -0.01
     7   1    -0.01  -0.00   0.02     0.04  -0.02  -0.08    -0.04   0.15   0.02
     8   1     0.03   0.00  -0.02    -0.15   0.00   0.09     0.10   0.07  -0.29
     9   1     0.02   0.01  -0.01    -0.10  -0.04   0.02     0.02   0.05   0.15
    10   6     0.03   0.03   0.01     0.06   0.03   0.01     0.02   0.02   0.01
    11   6    -0.04   0.03   0.00    -0.08  -0.06  -0.02    -0.03   0.00  -0.00
    12   6    -0.01  -0.00  -0.00     0.02  -0.00   0.00     0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.08   0.05   0.01     0.00   0.02   0.01
    14   6     0.05  -0.02  -0.00     0.04   0.01   0.00    -0.00   0.02   0.00
    15   1     0.41   0.31   0.08    -0.03  -0.04  -0.00     0.02   0.03   0.00
    16   1    -0.40   0.18   0.01    -0.37   0.05  -0.01     0.03  -0.02  -0.00
    17   1    -0.01  -0.00  -0.00     0.01   0.04   0.01    -0.00   0.02   0.00
    18   1    -0.36  -0.28  -0.09    -0.35  -0.14  -0.05    -0.10  -0.05  -0.02
    19   1     0.50  -0.21  -0.01    -0.25   0.14   0.02    -0.11   0.06   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1319.4599              1354.7340              1386.6678
 Red. masses --      2.3563                 2.0370                 1.2725
 Frc consts  --      2.4170                 2.2026                 1.4416
 IR Inten    --     20.2050                 2.7168                 0.2915
 RamAct Fr= 1--      1.2297                 1.0395                 3.1724
  Dep-P Fr= 1--      0.2581                 0.6569                 0.5744
  Dep-U Fr= 1--      0.4103                 0.7929                 0.7297
 Alpha2 Fr= 1--      0.0142                 0.0017                 0.0105
 Beta2  Fr= 1--      0.0841                 0.1374                 0.3858
 AlphaG Fr= 1--      0.0242                -0.0044                -0.0095
 Gamma2 Fr= 1--     -0.5926                 0.0177                 1.5998
 Delta2 Fr= 1--     -0.2041                 0.0272                 0.5042
 Raman1 Fr= 1--       4.919                  4.158                 12.690
 ROA1   Fr= 1--     -63.417                  2.572                169.711
 CID1   Fr= 1--     -12.893                  0.619                 13.374
 Raman2 Fr= 1--       1.009                  1.648                  4.630
 ROA2   Fr= 1--     -12.589                  0.208                 34.361
 CID2   Fr= 1--     -12.477                  0.126                  7.422
 Raman3 Fr= 1--       2.018                  3.297                  9.259
 ROA3   Fr= 1--     -63.417                  2.572                169.711
 CID3   Fr= 1--     -31.426                  0.780                 18.329
 RC180  Fr= 1--      -0.179                  0.586                  0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.01   0.00    -0.01  -0.00  -0.00    -0.01   0.03   0.02
     2   6    -0.13  -0.01  -0.02     0.05   0.01   0.00    -0.05   0.05  -0.07
     3   1    -0.14   0.19  -0.05     0.01  -0.03   0.00     0.15  -0.18   0.06
     4   1     0.34  -0.36   0.38    -0.24   0.09  -0.04     0.53  -0.39   0.42
     5   6     0.04  -0.02   0.00    -0.02   0.00   0.00     0.03  -0.01  -0.03
     6   6     0.04   0.22   0.05    -0.02   0.01   0.00     0.02  -0.06  -0.01
     7   1     0.04   0.05  -0.08    -0.01  -0.03  -0.00    -0.01   0.04   0.19
     8   1    -0.09   0.05  -0.08     0.07  -0.01  -0.01    -0.15  -0.03   0.07
     9   1    -0.11  -0.06   0.04     0.04   0.02  -0.01    -0.15   0.01   0.14
    10   6    -0.03  -0.06  -0.01    -0.15  -0.08  -0.02     0.00  -0.00  -0.00
    11   6     0.08  -0.07  -0.01     0.09  -0.02   0.00    -0.05   0.02   0.00
    12   6    -0.01   0.08   0.02    -0.02   0.15   0.03     0.00  -0.00  -0.00
    13   6    -0.09  -0.07  -0.02    -0.07  -0.04  -0.01     0.04   0.04   0.01
    14   6     0.08  -0.07  -0.01     0.15  -0.04   0.00     0.00  -0.01  -0.00
    15   1    -0.27  -0.23  -0.07     0.43   0.36   0.10     0.14   0.10   0.02
    16   1    -0.37   0.10  -0.01     0.20  -0.06   0.00     0.22  -0.09  -0.00
    17   1     0.01  -0.06  -0.01     0.05  -0.34  -0.07     0.02  -0.14  -0.03
    18   1     0.19   0.14   0.05    -0.13  -0.09  -0.03    -0.19  -0.13  -0.04
    19   1     0.20  -0.12  -0.01    -0.50   0.24   0.02    -0.18   0.07   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1394.0529              1413.0389              1484.9550
 Red. masses --      1.4144                 1.3613                 1.0791
 Frc consts  --      1.6195                 1.6015                 1.4020
 IR Inten    --     28.4614                13.8879                 1.6931
 RamAct Fr= 1--      4.5806                 5.0357                 5.9685
  Dep-P Fr= 1--      0.3114                 0.4892                 0.6599
  Dep-U Fr= 1--      0.4749                 0.6570                 0.7951
 Alpha2 Fr= 1--      0.0454                 0.0261                 0.0096
 Beta2  Fr= 1--      0.3626                 0.5514                 0.7909
 AlphaG Fr= 1--      0.0105                -0.0047                 0.0123
 Gamma2 Fr= 1--     -0.2706                -0.2692                 1.9644
 Delta2 Fr= 1--     -0.8763                 0.0145                 0.0439
 Raman1 Fr= 1--      18.322                 20.143                 23.874
 ROA1   Fr= 1--     -54.023                -25.382                189.985
 CID1   Fr= 1--      -2.948                 -1.260                  7.958
 Raman2 Fr= 1--       4.351                  6.617                  9.491
 ROA2   Fr= 1--       0.515                 -6.577                 46.794
 CID2   Fr= 1--       0.118                 -0.994                  4.930
 Raman3 Fr= 1--       8.702                 13.233                 18.982
 ROA3   Fr= 1--     -54.023                -25.382                189.985
 CID3   Fr= 1--      -6.208                 -1.918                 10.009
 RC180  Fr= 1--      -0.050                  0.314                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.01  -0.02     0.02  -0.02  -0.02     0.00   0.00  -0.00
     2   6    -0.12  -0.03   0.09    -0.04  -0.03   0.08    -0.03  -0.02  -0.00
     3   1    -0.23   0.29  -0.10    -0.19   0.24  -0.07    -0.01   0.03  -0.00
     4   1     0.51   0.13  -0.38     0.04   0.19  -0.28     0.06  -0.01  -0.05
     5   6     0.02   0.02   0.06     0.07   0.03  -0.12    -0.03  -0.03  -0.02
     6   6     0.04  -0.03  -0.02     0.00   0.01  -0.01    -0.00   0.02   0.00
     7   1     0.06  -0.00  -0.33     0.02  -0.07   0.45    -0.03   0.32  -0.35
     8   1    -0.00   0.17  -0.18    -0.26  -0.22   0.38     0.13  -0.30   0.38
     9   1     0.08  -0.16  -0.28    -0.37   0.11   0.36     0.48   0.42   0.29
    10   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00   0.00
    11   6    -0.04   0.01  -0.00     0.00  -0.00   0.00    -0.02  -0.01  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    13   6     0.02   0.03   0.01    -0.00  -0.00   0.00     0.02   0.01   0.00
    14   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.02  -0.00
    15   1     0.08   0.05   0.01     0.02   0.02  -0.01    -0.03  -0.04  -0.01
    16   1     0.13  -0.06  -0.01     0.00  -0.00   0.00     0.02  -0.03  -0.00
    17   1     0.02  -0.12  -0.02     0.00  -0.01  -0.00     0.01  -0.10  -0.02
    18   1    -0.16  -0.11  -0.04    -0.01  -0.01  -0.00    -0.07  -0.07  -0.02
    19   1    -0.15   0.05  -0.01    -0.00   0.00  -0.02    -0.02  -0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.6808              1496.5617              1532.7118
 Red. masses --      1.6531                 1.1974                 2.2114
 Frc consts  --      2.1643                 1.5801                 3.0608
 IR Inten    --     16.0986                 0.4174                 7.2085
 RamAct Fr= 1--      0.9140                 4.9588                 0.1557
  Dep-P Fr= 1--      0.7496                 0.7168                 0.6929
  Dep-U Fr= 1--      0.8569                 0.8350                 0.8186
 Alpha2 Fr= 1--      0.0000                 0.0028                 0.0002
 Beta2  Fr= 1--      0.1305                 0.6901                 0.0212
 AlphaG Fr= 1--      0.0004                -0.0227                 0.0014
 Gamma2 Fr= 1--     -1.0365                -1.1353                 0.0729
 Delta2 Fr= 1--      0.3400                -0.9822                -0.0439
 Raman1 Fr= 1--       3.656                 19.835                  0.623
 ROA1   Fr= 1--     -88.621               -140.423                  5.597
 CID1   Fr= 1--     -24.240                 -7.079                  8.989
 Raman2 Fr= 1--       1.566                  8.281                  0.255
 ROA2   Fr= 1--     -27.596                -19.390                  2.101
 CID2   Fr= 1--     -17.617                 -2.341                  8.245
 Raman3 Fr= 1--       3.133                 16.563                  0.510
 ROA3   Fr= 1--     -88.621               -140.423                  5.597
 CID3   Fr= 1--     -28.288                 -8.478                 10.981
 RC180  Fr= 1--       0.714                  0.670                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.02   0.01   0.01    -0.04   0.03  -0.00    -0.03  -0.01  -0.00
     3   1     0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.01   0.01  -0.00
     4   1     0.23  -0.03  -0.03     0.16  -0.04   0.05    -0.04  -0.01   0.01
     5   6     0.01  -0.03  -0.00    -0.03   0.04  -0.01    -0.01  -0.00   0.00
     6   6     0.02  -0.11  -0.03     0.01  -0.06  -0.01     0.14   0.02   0.01
     7   1    -0.06   0.46   0.04     0.08  -0.54  -0.25     0.01  -0.02  -0.08
     8   1    -0.36   0.01   0.06     0.59  -0.14   0.07     0.07  -0.04   0.03
     9   1     0.26   0.05  -0.09    -0.20   0.11   0.27     0.03   0.05   0.05
    10   6    -0.07   0.03   0.00    -0.03   0.02   0.00    -0.05  -0.11  -0.02
    11   6     0.10   0.02   0.01     0.04   0.01   0.00    -0.13   0.09   0.01
    12   6     0.02  -0.09  -0.02     0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6    -0.11  -0.01  -0.01    -0.04   0.01  -0.00    -0.09  -0.11  -0.03
    14   6     0.06   0.05   0.01     0.03   0.02   0.01    -0.08   0.08   0.01
    15   1     0.09   0.16   0.03     0.01   0.05   0.02     0.38   0.20   0.06
    16   1    -0.22   0.17   0.02    -0.12   0.08   0.01     0.47  -0.15   0.00
    17   1    -0.06   0.46   0.09    -0.03   0.21   0.04     0.13   0.01   0.01
    18   1     0.20   0.23   0.06     0.06   0.09   0.02     0.40   0.24   0.08
    19   1    -0.10   0.12   0.02    -0.08   0.07   0.01     0.43  -0.11   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.1248              1649.1533              2979.9925
 Red. masses --      5.5115                 5.5518                 1.0837
 Frc consts  --      8.6291                 8.8963                 5.6699
 IR Inten    --      0.3969                 2.0979                42.1206
 RamAct Fr= 1--      7.8329                36.1516                97.6282
  Dep-P Fr= 1--      0.7449                 0.6255                 0.2230
  Dep-U Fr= 1--      0.8538                 0.7696                 0.3647
 Alpha2 Fr= 1--      0.0007                 0.0820                 1.2465
 Beta2  Fr= 1--      1.1146                 4.6372                 5.9338
 AlphaG Fr= 1--      0.0060                 0.0331                 1.0817
 Gamma2 Fr= 1--     -0.4413                 0.8517                 6.6835
 Delta2 Fr= 1--      0.0008                -0.2375                 0.3219
 Raman1 Fr= 1--      31.331                144.607                390.513
 ROA1   Fr= 1--     -42.338                 74.162                651.916
 CID1   Fr= 1--      -1.351                  0.513                  1.669
 Raman2 Fr= 1--      13.375                 55.646                 71.206
 ROA2   Fr= 1--     -10.597                 22.341                157.829
 CID2   Fr= 1--      -0.792                  0.401                  2.217
 Raman3 Fr= 1--      26.751                111.293                142.412
 ROA3   Fr= 1--     -42.338                 74.162                651.916
 CID3   Fr= 1--      -1.583                  0.666                  4.578
 RC180  Fr= 1--       0.708                  0.539                 -0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.02   0.04   0.01     0.03   0.00   0.00    -0.02  -0.07  -0.04
     3   1     0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   1     0.24  -0.02   0.00     0.01   0.02  -0.02     0.18   0.83   0.52
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.04  -0.30  -0.06    -0.22  -0.01  -0.01     0.00  -0.00  -0.00
     7   1     0.00  -0.01  -0.01    -0.00   0.01   0.04    -0.04  -0.00  -0.01
     8   1     0.01   0.01  -0.01    -0.03   0.00   0.00    -0.01  -0.06  -0.03
     9   1    -0.01  -0.00   0.01    -0.01  -0.01  -0.01     0.02  -0.02   0.01
    10   6     0.08   0.20   0.05     0.28   0.11   0.04     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.03    -0.28   0.04  -0.01     0.00  -0.00  -0.00
    12   6    -0.04   0.35   0.07     0.14   0.01   0.01     0.00   0.00   0.00
    13   6    -0.05  -0.21  -0.05    -0.25  -0.09  -0.04    -0.00   0.00   0.00
    14   6    -0.12   0.17   0.03     0.31  -0.06   0.01     0.00   0.00   0.00
    15   1    -0.29  -0.07  -0.03    -0.26  -0.30  -0.07    -0.00   0.00   0.00
    16   1    -0.22  -0.08  -0.03     0.28  -0.20  -0.02     0.00   0.00   0.00
    17   1     0.08  -0.47  -0.09     0.15   0.03   0.02    -0.00   0.00  -0.00
    18   1     0.26  -0.00   0.02     0.20   0.25   0.07    -0.00   0.00  -0.00
    19   1     0.30   0.01   0.02    -0.35   0.22   0.03    -0.01  -0.02  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3041.5876              3111.8572              3115.3334
 Red. masses --      1.0337                 1.1030                 1.1023
 Frc consts  --      5.6345                 6.2928                 6.3032
 IR Inten    --     16.5469                25.2980                20.0056
 RamAct Fr= 1--    194.8195                86.2027                70.7659
  Dep-P Fr= 1--      0.0286                 0.5764                 0.7095
  Dep-U Fr= 1--      0.0556                 0.7313                 0.8300
 Alpha2 Fr= 1--      4.0485                 0.2812                 0.0497
 Beta2  Fr= 1--      1.8052                10.5069                 9.7897
 AlphaG Fr= 1--      0.0363                -0.0885                 0.0516
 Gamma2 Fr= 1--      1.0435                -3.8637                 1.2657
 Delta2 Fr= 1--     -0.2605                -7.1240                 7.2902
 Raman1 Fr= 1--     779.278                344.811                283.064
 ROA1   Fr= 1--      91.837               -598.885                354.792
 CID1   Fr= 1--       0.118                 -1.737                  1.253
 Raman2 Fr= 1--      21.662                126.082                117.476
 ROA2   Fr= 1--      27.128                -35.737                -27.945
 CID2   Fr= 1--       1.252                 -0.283                 -0.238
 Raman3 Fr= 1--      43.324                252.165                234.952
 ROA3   Fr= 1--      91.837               -598.885                354.792
 CID3   Fr= 1--       2.120                 -2.375                  1.510
 RC180  Fr= 1--      -0.889                  0.463                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   1    -0.00  -0.00  -0.00     0.01   0.07   0.04     0.00   0.02   0.02
     5   6    -0.02   0.00   0.04    -0.06  -0.07  -0.03     0.06  -0.07   0.03
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   1     0.58   0.08   0.07     0.64   0.07   0.07    -0.47  -0.08  -0.05
     8   1    -0.11  -0.50  -0.31     0.11   0.62   0.39     0.06   0.22   0.15
     9   1    -0.21   0.42  -0.26    -0.06   0.09  -0.07    -0.31   0.65  -0.41
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3157.9221              3168.8522              3178.6958
 Red. masses --      1.0868                 1.0862                 1.0902
 Frc consts  --      6.3858                 6.4265                 6.4900
 IR Inten    --      7.6796                 0.1090                14.5037
 RamAct Fr= 1--     51.8075                94.9251               100.2494
  Dep-P Fr= 1--      0.4634                 0.6479                 0.6617
  Dep-U Fr= 1--      0.6333                 0.7863                 0.7964
 Alpha2 Fr= 1--      0.3007                 0.1742                 0.1578
 Beta2  Fr= 1--      5.4682                12.4407                13.3072
 AlphaG Fr= 1--     -0.0785                -0.0340                -0.0113
 Gamma2 Fr= 1--     -0.3877                 1.0478                -1.2536
 Delta2 Fr= 1--      0.1759                 0.5668                -0.5168
 Raman1 Fr= 1--     207.230                379.701                400.998
 ROA1   Fr= 1--     -31.586                118.727               -136.886
 CID1   Fr= 1--      -0.152                  0.313                 -0.341
 Raman2 Fr= 1--      65.618                149.288                159.686
 ROA2   Fr= 1--     -10.711                 20.613                -25.952
 CID2   Fr= 1--      -0.163                  0.138                 -0.163
 Raman3 Fr= 1--     131.237                298.577                319.372
 ROA3   Fr= 1--     -31.586                118.727               -136.886
 CID3   Fr= 1--      -0.241                  0.398                 -0.429
 RC180  Fr= 1--       0.267                  0.573                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   1     0.01   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00   0.00   0.00    -0.02   0.02   0.00    -0.02   0.03   0.00
    11   6    -0.00  -0.01  -0.00    -0.02  -0.05  -0.01    -0.01  -0.03  -0.01
    12   6     0.01   0.00   0.00     0.04   0.01   0.00    -0.04  -0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.04  -0.01
    14   6    -0.03  -0.07  -0.02     0.01   0.02   0.01    -0.01  -0.02  -0.01
    15   1     0.03  -0.04  -0.01     0.20  -0.25  -0.04     0.25  -0.32  -0.05
    16   1     0.04   0.11   0.03     0.26   0.62   0.15     0.16   0.39   0.09
    17   1    -0.17  -0.02  -0.02    -0.53  -0.07  -0.05     0.41   0.05   0.04
    18   1     0.24  -0.32  -0.05     0.12  -0.15  -0.02    -0.38   0.49   0.08
    19   1     0.33   0.80   0.20    -0.11  -0.27  -0.07     0.11   0.26   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3188.2761              3195.5658              3792.7286
 Red. masses --      1.0927                 1.0973                 1.0661
 Frc consts  --      6.5445                 6.6017                 9.0355
 IR Inten    --     18.2977                12.4077                20.4374
 RamAct Fr= 1--     21.3124               326.9557                72.6632
  Dep-P Fr= 1--      0.5399                 0.0975                 0.1762
  Dep-U Fr= 1--      0.7012                 0.1777                 0.2996
 Alpha2 Fr= 1--      0.0862                 5.7598                 1.0504
 Beta2  Fr= 1--      2.4908                 9.6808                 3.6277
 AlphaG Fr= 1--     -0.0563                 0.0402                -0.9630
 Gamma2 Fr= 1--     -0.3042                 0.1333                -5.8639
 Delta2 Fr= 1--     -1.9601                 0.8954                -0.9604
 Raman1 Fr= 1--      85.250               1307.823                290.653
 ROA1   Fr= 1--     -91.927                 41.447               -593.668
 CID1   Fr= 1--      -1.078                  0.032                 -2.043
 Raman2 Fr= 1--      29.889                116.169                 43.533
 ROA2   Fr= 1--       8.380                 -3.966               -133.051
 CID2   Fr= 1--       0.280                 -0.034                 -3.056
 Raman3 Fr= 1--      59.779                232.339                 87.066
 ROA3   Fr= 1--     -91.927                 41.447               -593.668
 CID3   Fr= 1--      -1.538                  0.178                 -6.819
 RC180  Fr= 1--       0.402                 -0.645                 -0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.03   0.01  -0.05
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.45  -0.16   0.88
     4   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.04  -0.05  -0.01     0.03  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6     0.03   0.01   0.00    -0.05  -0.01  -0.00     0.00  -0.00   0.00
    13   6     0.03  -0.03  -0.01    -0.02   0.03   0.01     0.00   0.00  -0.00
    14   6    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.44   0.56   0.09    -0.28   0.35   0.05    -0.00  -0.00  -0.00
    16   1     0.09   0.21   0.05     0.19   0.46   0.11     0.00   0.00   0.00
    17   1    -0.39  -0.05  -0.04     0.59   0.07   0.05     0.00  -0.00   0.00
    18   1    -0.30   0.38   0.06     0.24  -0.31  -0.05     0.00  -0.00  -0.00
    19   1     0.06   0.14   0.03    -0.04  -0.10  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   517.510441627.663341835.40748
           X            0.99984   0.01236  -0.01287
           Y           -0.01215   0.99980   0.01611
           Z            0.01306  -0.01595   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16737     0.05321     0.04719
 Rotational constants (GHZ):           3.48735     1.10879     0.98329
 Zero-point vibrational energy     422585.9 (Joules/Mol)
                                  101.00045 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     61.88   184.99   299.70   363.95   441.33
          (Kelvin)            475.88   526.53   597.19   699.33   793.80
                              892.49   917.68  1029.55  1119.61  1124.66
                             1241.26  1320.38  1340.93  1394.30  1415.45
                             1451.95  1476.44  1515.75  1540.25  1585.96
                             1624.57  1704.65  1729.09  1758.62  1841.97
                             1898.41  1949.16  1995.11  2005.73  2033.05
                             2136.52  2144.76  2153.22  2205.23  2345.39
                             2372.76  4287.54  4376.17  4477.27  4482.27
                             4543.55  4559.27  4573.43  4587.22  4597.71
                             5456.89
 
 Zero-point correction=                           0.160954 (Hartree/Particle)
 Thermal correction to Energy=                    0.169314
 Thermal correction to Enthalpy=                  0.170258
 Thermal correction to Gibbs Free Energy=         0.127601
 Sum of electronic and zero-point Energies=           -386.117534
 Sum of electronic and thermal Energies=              -386.109175
 Sum of electronic and thermal Enthalpies=            -386.108231
 Sum of electronic and thermal Free Energies=         -386.150888
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.246             32.149             89.780
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.826
 Vibrational            104.468             26.187             20.641
 Vibration     1          0.595              1.980              5.116
 Vibration     2          0.611              1.925              2.967
 Vibration     3          0.642              1.828              2.059
 Vibration     4          0.664              1.758              1.710
 Vibration     5          0.697              1.661              1.380
 Vibration     6          0.713              1.614              1.256
 Vibration     7          0.739              1.542              1.097
 Vibration     8          0.778              1.438              0.909
 Vibration     9          0.842              1.281              0.694
 Vibration    10          0.907              1.136              0.541
 Vibration    11          0.980              0.989              0.416
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.203176D-58        -58.692129       -135.143620
 Total V=0       0.219643D+16         15.341717         35.325609
 Vib (Bot)       0.861060D-72        -72.064966       -165.935718
 Vib (Bot)    1  0.480987D+01          0.682133          1.570670
 Vib (Bot)    2  0.158612D+01          0.200336          0.461290
 Vib (Bot)    3  0.954148D+00         -0.020384         -0.046936
 Vib (Bot)    4  0.770463D+00         -0.113248         -0.260763
 Vib (Bot)    5  0.617618D+00         -0.209280         -0.481886
 Vib (Bot)    6  0.564650D+00         -0.248221         -0.571550
 Vib (Bot)    7  0.498856D+00         -0.302025         -0.695439
 Vib (Bot)    8  0.424629D+00         -0.371990         -0.856539
 Vib (Bot)    9  0.342292D+00         -0.465603         -1.072090
 Vib (Bot)   10  0.283972D+00         -0.546724         -1.258880
 Vib (Bot)   11  0.235674D+00         -0.627689         -1.445307
 Vib (V=0)       0.930849D+02          1.968879          4.533512
 Vib (V=0)    1  0.533579D+01          0.727198          1.674436
 Vib (V=0)    2  0.216306D+01          0.335069          0.771524
 Vib (V=0)    3  0.157722D+01          0.197892          0.455663
 Vib (V=0)    4  0.141848D+01          0.151825          0.349589
 Vib (V=0)    5  0.129464D+01          0.112149          0.258232
 Vib (V=0)    6  0.125421D+01          0.098369          0.226504
 Vib (V=0)    7  0.120630D+01          0.081455          0.187556
 Vib (V=0)    8  0.115598D+01          0.062950          0.144948
 Vib (V=0)    9  0.110594D+01          0.043732          0.100696
 Vib (V=0)   10  0.107501D+01          0.031414          0.072333
 Vib (V=0)   11  0.105276D+01          0.022329          0.051414
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.445096D+06          5.648454         13.006045
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333  3 2                                           11 1111111111111111111                                  
     7                1111111  0 9                                           66 54444333322211100009999 877  7 66 5 4  4333 2 2 1    
     9                9876511  4 8                                           43 39981985182082075208631 687  1 32 5 8  1630 5 0 2  4 
     3                6899852  2 0                                           90 37153475902259214694928 328  6 80 2 6  5617 3 8 9  3 
 
     X                XXXXXXX  X X                                           XX XXXXXXXXXXXXXXXXXXXX XX XXX  X XX X X  XXXX X X X  X 
     X                XXX XXX  X X                                              X X XX  XX   XXX  X   X   X  X  X X     XX           
     X                XXX  XX  X X                                                X XX  XX   XXX  X       X  X    X     XX           
     X                 X   XX    X                                                   X  XX    XX  X       X  X    X     XX           
                            X    X                                                   X   X    X   X       X  X          XX           
                                 X                                                   X   X    X   X          X          XX           
                                 X                                                       X    X   X          X          XX           
                                 X                                                       X        X          X          XX           
                                 X                                                       X        X          X           X           
                                                                                         X                               X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000008896    0.000001307   -0.000000556
      2        6           0.000011671   -0.000009850    0.000001709
      3        1           0.000002840   -0.000003502    0.000002386
      4        1          -0.000005052    0.000001867   -0.000001673
      5        6          -0.000001543    0.000001372   -0.000005005
      6        6          -0.000004773    0.000028650    0.000007567
      7        1          -0.000000092    0.000001046    0.000001724
      8        1          -0.000000484    0.000002188   -0.000002097
      9        1          -0.000000036    0.000002000   -0.000001939
     10        6          -0.000017629   -0.000018327   -0.000005287
     11        6           0.000023488   -0.000010615   -0.000000843
     12        6          -0.000004549    0.000025099    0.000005038
     13        6          -0.000022285   -0.000014946   -0.000004968
     14        6           0.000028933   -0.000010463    0.000001388
     15        1           0.000002584    0.000001650   -0.000000070
     16        1          -0.000002717    0.000000792   -0.000001915
     17        1          -0.000000444   -0.000002946    0.000000929
     18        1           0.000001874    0.000002784    0.000001341
     19        1          -0.000002889    0.000001894    0.000002274
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028933 RMS     0.000009456
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128781D+03  0.885755D+00  0.522780D+00
      2   0.885755D+00  0.105095D+03  0.516756D+01
      3   0.522780D+00  0.516756D+01  0.751401D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.122188D+01  0.650959D+01  0.473133D+01
      2   0.154769D+01  0.125310D+02 -0.420912D+01
      3  -0.795249D+01 -0.421723D+02 -0.122944D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.971228D+02  0.482131D+01  0.498657D+01
      2  -0.347117D+02 -0.127183D+02 -0.160456D+02
      3  -0.624111D+02  0.789698D+01  0.110590D+02
      4  -0.145198D+02  0.840550D+02  0.288326D+02
      5   0.329899D+02  0.298672D+02 -0.149895D+02
      6   0.112114D+02  0.105050D+02 -0.742028D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.590648D+01  0.222489D+01 -0.119677D+01  0.355007D+01 -0.238449D+01
      2   0.222489D+01 -0.112500D+01  0.183765D+01 -0.238449D+01  0.126822D+01
      3  -0.119677D+01  0.183765D+01 -0.327843D+01  0.141888D+01 -0.156969D+01
                 6             7             8             9            10 
      1   0.141888D+01  0.643899D+00  0.966813D+00 -0.274902D+01  0.444715D+01
      2  -0.156969D+01  0.966813D+00  0.112247D+01 -0.425131D+00  0.138821D+00
      3  -0.913466D-01 -0.274902D+01 -0.425131D+00  0.346740D+01 -0.120785D+01
                11            12            13            14            15 
      1   0.138821D+00 -0.120785D+01  0.239347D+00  0.290565D+01 -0.136299D+01
      2   0.491503D+00 -0.130577D+01  0.290565D+01  0.433475D+01  0.412640D+01
      3  -0.130577D+01  0.224359D+01 -0.136299D+01  0.412640D+01  0.138121D+01
                16            17            18            19            20 
      1  -0.496793D+01 -0.129964D+01  0.498842D+01  0.976560D+00  0.766917D-01
      2  -0.129964D+01  0.235964D+01  0.190763D+01  0.766917D-01  0.523610D+00
      3   0.498842D+01  0.190763D+01 -0.183734D+01 -0.603378D+00 -0.929942D+00
                21            22            23            24            25 
      1  -0.603378D+00  0.106769D+00 -0.175058D+00 -0.174466D+00 -0.148383D+01
      2  -0.929942D+00 -0.175058D+00  0.121325D+01 -0.112224D+01 -0.161004D-01
      3   0.231910D+01 -0.174466D+00 -0.112224D+01  0.132546D+01  0.293089D+00
                26            27            28            29            30 
      1  -0.161004D-01  0.293089D+00 -0.529921D+00 -0.149764D+01 -0.661380D+00
      2  -0.168725D+01  0.197928D+01 -0.149764D+01 -0.104303D+01 -0.391649D+00
      3   0.197928D+01 -0.679726D+01 -0.661380D+00 -0.391649D+00 -0.888799D+00
                31            32            33            34            35 
      1  -0.300405D+01 -0.208424D+01 -0.643599D+00 -0.635949D+00 -0.672041D+00
      2  -0.208424D+01 -0.602213D+01 -0.238220D+01 -0.672041D+00 -0.236024D+01
      3  -0.643599D+00 -0.238220D+01 -0.236044D+01 -0.136981D+01 -0.208845D+01
                36            37            38            39            40 
      1  -0.136981D+01  0.934912D+01  0.169144D+01  0.465309D+00  0.146765D+01
      2  -0.208845D+01  0.169144D+01 -0.189612D+01  0.963076D+00 -0.169930D+01
      3  -0.222942D+01  0.465309D+00  0.963076D+00 -0.296186D+01  0.117124D+01
                41            42            43            44            45 
      1  -0.169930D+01  0.117124D+01  0.593377D+01  0.150033D+01 -0.426476D+01
      2  -0.358123D+00 -0.447270D+01  0.150033D+01 -0.336793D+01 -0.111818D+01
      3  -0.447270D+01 -0.664708D+00 -0.426476D+01 -0.111818D+01  0.132143D+01
                46            47            48            49            50 
      1  -0.169414D+02 -0.181681D+01  0.489222D-01 -0.344322D+01  0.140430D+01
      2  -0.181681D+01 -0.253808D+01  0.271049D+00  0.140430D+01 -0.502216D+00
      3   0.489222D-01  0.271049D+00 -0.252697D+01  0.104001D+01 -0.226164D+00
                51            52            53            54            55 
      1   0.104001D+01 -0.750192D+00  0.107512D+01 -0.393321D+01 -0.143943D+02
      2  -0.226164D+00  0.107512D+01 -0.552842D+00 -0.599380D+00 -0.176032D+01
      3  -0.120501D+00 -0.393321D+01 -0.599380D+00 -0.732906D+00  0.149767D+01
                56            57            58            59            60 
      1  -0.176032D+01  0.149767D+01 -0.163939D+01 -0.150528D+01  0.135452D+00
      2  -0.117208D+01  0.185941D+00 -0.150528D+01 -0.586847D+00  0.591104D+00
      3   0.185941D+00 -0.145945D+01  0.135452D+00  0.591104D+00 -0.231217D+00
                61            62            63            64            65 
      1  -0.137390D+01 -0.263342D+00 -0.812428D+00 -0.596030D+00  0.672549D+00
      2  -0.263342D+00  0.843356D-01 -0.108744D+00  0.672549D+00  0.428642D+00
      3  -0.812428D+00 -0.108744D+00 -0.200904D+00  0.330027D+00  0.451269D-01
                66            67            68            69            70 
      1   0.330027D+00  0.188469D+01 -0.719344D-01 -0.784022D+00  0.712571D+00
      2   0.451269D-01 -0.719344D-01  0.377114D+01  0.247313D+01 -0.297001D+00
      3   0.828297D+00 -0.784022D+00  0.247313D+01  0.308233D+01 -0.107151D+00
                71            72            73            74            75 
      1  -0.297001D+00 -0.107151D+00  0.718537D-01 -0.101054D+01  0.512866D+00
      2   0.210783D+01  0.172147D+01 -0.101054D+01  0.124545D+01 -0.795905D+00
      3   0.172147D+01  0.331393D+01  0.512866D+00 -0.795905D+00  0.147478D+01
                76            77            78            79            80 
      1  -0.155868D+01  0.321746D+00 -0.642535D-01  0.356731D+00 -0.221573D+00
      2   0.321746D+00 -0.423989D+01  0.277031D+01 -0.221573D+00  0.219144D+01
      3  -0.642535D-01  0.277031D+01 -0.257054D+01  0.387453D+00 -0.187648D+01
                81            82            83            84            85 
      1   0.387453D+00  0.382810D+01 -0.850718D+00  0.220795D+00  0.790844D+01
      2  -0.187648D+01 -0.850718D+00 -0.338987D+01 -0.514551D+00  0.415514D-01
      3   0.305381D+01  0.220795D+00 -0.514551D+00 -0.201821D+01  0.460089D+00
                86            87            88            89            90 
      1   0.415514D-01  0.460089D+00  0.242883D+01 -0.834570D-01 -0.178061D+01
      2   0.152069D+01 -0.847998D+00 -0.834570D-01 -0.153098D+01  0.299278D+01
      3  -0.847998D+00  0.181246D+01 -0.178061D+01  0.299278D+01  0.109684D+01
                91            92            93            94            95 
      1  -0.394793D+01 -0.456479D+00 -0.194214D+00  0.506586D+01  0.135893D+00
      2  -0.456479D+00  0.244837D+01 -0.373633D+00  0.135893D+00  0.116233D+01
      3  -0.194214D+00 -0.373633D+00  0.964971D+00 -0.390816D+00 -0.112611D+01
                96            97            98            99           100 
      1  -0.390816D+00  0.538930D+00 -0.840735D+00  0.187203D+01  0.533361D+01
      2  -0.112611D+01 -0.840735D+00 -0.139943D+01  0.359154D+01  0.307756D+00
      3   0.232042D+01  0.187203D+01  0.359154D+01  0.250341D+01 -0.518937D+00
               101           102           103           104           105 
      1   0.307756D+00 -0.518937D+00  0.880405D+00 -0.272543D+00 -0.113273D+01
      2   0.331951D+01 -0.972621D-02 -0.272543D+00  0.235732D+00 -0.613205D+00
      3  -0.972621D-02  0.328070D+01 -0.113273D+01 -0.613205D+00  0.187503D+00
               106           107           108           109           110 
      1  -0.119485D+00 -0.115490D+01  0.520793D+01 -0.231558D+01 -0.733108D+00
      2  -0.115490D+01  0.130164D+00  0.440000D+00 -0.733108D+00  0.269917D+01
      3   0.520793D+01  0.440000D+00  0.108982D+01 -0.507683D+00  0.760584D+00
               111           112           113           114           115 
      1  -0.507683D+00 -0.557887D+01 -0.912242D+00 -0.967269D+00 -0.149494D+01
      2   0.760584D+00 -0.912242D+00 -0.977222D+00  0.131465D+01 -0.667174D+00
      3   0.199797D+01 -0.967269D+00  0.131465D+01 -0.216234D+01  0.283088D+01
               116           117           118           119           120 
      1  -0.667174D+00  0.283088D+01  0.518753D+01  0.244372D+01  0.947844D+00
      2   0.170882D+01 -0.305505D+01  0.244372D+01 -0.237627D+01 -0.945748D-01
      3  -0.305505D+01 -0.143476D+01  0.947844D+00 -0.945748D-01 -0.114783D+01
               121           122           123           124           125 
      1  -0.644934D+01 -0.497866D+00  0.189956D+00 -0.589887D+00  0.996211D+00
      2  -0.497866D+00 -0.166922D+01  0.110985D+01  0.996211D+00  0.122932D+01
      3   0.189956D+00  0.110985D+01 -0.199398D+01 -0.932237D+00 -0.329186D+01
               126           127           128           129           130 
      1  -0.932237D+00 -0.333591D+01  0.234381D+01  0.295772D+00  0.237769D+01
      2  -0.329186D+01  0.234381D+01 -0.275247D+01 -0.248932D+00 -0.288028D+01
      3  -0.271857D+01  0.295772D+00 -0.248932D+00 -0.487938D+00 -0.495318D+00
               131           132           133           134           135 
      1  -0.288028D+01 -0.495318D+00  0.259412D+00 -0.446255D+00 -0.586539D-01
      2   0.589410D+01  0.803640D+00 -0.446255D+00  0.104908D+01  0.252559D+00
      3   0.803640D+00  0.809802D+00 -0.586539D-01  0.252559D+00  0.226801D+00
               136           137           138           139           140 
      1   0.227625D+01  0.262506D+01  0.650328D+00  0.224840D+01  0.374147D+01
      2   0.262506D+01  0.287459D+01  0.668367D+00  0.374147D+01  0.935410D+01
      3   0.650328D+00  0.668367D+00  0.504558D+00  0.849127D+00  0.196373D+01
               141           142           143           144           145 
      1   0.849127D+00  0.684813D+00  0.102873D+01  0.286043D+00  0.132514D+02
      2   0.196373D+01  0.102873D+01  0.222669D+01  0.537510D+00  0.126094D+01
      3   0.125024D+01  0.286043D+00  0.537510D+00  0.327644D+00  0.995122D+00
               146           147           148           149           150 
      1   0.126094D+01  0.995122D+00  0.111598D+01  0.163183D+01  0.442172D+00
      2   0.876231D+00  0.811948D-01  0.163183D+01  0.460653D+00  0.150621D+00
      3   0.811948D-01  0.944856D+00  0.442172D+00  0.150621D+00  0.149066D+00
               151           152           153           154           155 
      1   0.101728D+01  0.424330D+00  0.497386D-01  0.488037D+01 -0.384609D+01
      2   0.424330D+00  0.108588D+00  0.205492D-01 -0.384609D+01  0.357391D+01
      3   0.497386D-01  0.205492D-01  0.967019D-01 -0.581311D+00  0.432594D+00
               156           157           158           159           160 
      1  -0.581311D+00 -0.364880D+01  0.439899D+01  0.806425D+00 -0.583960D+00
      2   0.432594D+00  0.439899D+01 -0.655957D+01 -0.104608D+01  0.701904D+00
      3   0.606024D+00  0.806425D+00 -0.104608D+01 -0.886491D+00  0.201791D+00
               161           162           163           164           165 
      1   0.701904D+00  0.201791D+00 -0.163439D+01 -0.181396D+01 -0.493136D+00
      2  -0.130465D+01 -0.272146D+00 -0.181396D+01 -0.218807D+01 -0.580895D+00
      3  -0.272146D+00 -0.187758D+00 -0.493136D+00 -0.580895D+00 -0.395365D+00
               166           167           168           169           170 
      1  -0.152294D+01 -0.209819D+01 -0.497891D+00 -0.576158D+00 -0.731220D+00
      2  -0.209819D+01 -0.829974D+01 -0.189704D+01 -0.731220D+00 -0.211505D+01
      3  -0.497891D+00 -0.189704D+01 -0.123693D+01 -0.109511D+00 -0.607903D+00
               171 
      1  -0.109511D+00
      2  -0.607903D+00
      3  -0.358877D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.469041D-01  0.276121D+01  0.236553D+01  0.443234D+00 -0.338451D+01
      2  -0.393192D+01 -0.366329D+01  0.132823D+02 -0.269597D+00  0.108734D+01
      3   0.377392D+01 -0.992717D+01  0.552815D+01 -0.290683D+01  0.548619D+01
                 6             7             8             9            10 
      1  -0.263502D+01 -0.105126D+01  0.429122D+01 -0.473032D+01 -0.112468D+01
      2   0.838791D+00  0.509476D+01  0.339238D+01 -0.101152D+02  0.377483D+01
      3  -0.317224D+01  0.265946D+01  0.884883D+00 -0.340460D+01 -0.213439D+01
                11            12            13            14            15 
      1  -0.359903D+00  0.160148D+00  0.160360D+01  0.339727D+01 -0.645240D+00
      2   0.175352D+01 -0.303775D+01  0.668071D+00 -0.809645D+01 -0.274638D+01
      3   0.150411D+01 -0.638530D+00  0.126626D+02  0.564670D+01  0.972928D+01
                16            17            18            19            20 
      1   0.363902D+01  0.304398D+01 -0.981025D+00  0.245437D-01 -0.470669D+00
      2  -0.161157D+02 -0.495789D+01  0.315412D+01  0.509657D+01  0.205580D+01
      3   0.438684D+00  0.914564D+01  0.118734D+01  0.201826D+01  0.215551D+01
                21            22            23            24            25 
      1  -0.186639D+01 -0.186457D+00 -0.105196D+00 -0.116201D+01 -0.766863D+00
      2  -0.624513D+01  0.390848D+00  0.235281D+01 -0.355914D+01 -0.476293D+01
      3  -0.295029D+01  0.168087D+01  0.240349D+01 -0.241358D+01 -0.108851D+01
                26            27            28            29            30 
      1   0.865210D+00  0.420713D+01 -0.393727D+00 -0.126894D+00 -0.101492D+01
      2  -0.528577D+01  0.160991D+02  0.106215D+01  0.348237D+00  0.242028D+01
      3  -0.336586D+01  0.735482D+01 -0.371734D+01 -0.248593D+01 -0.447944D+00
                31            32            33            34            35 
      1  -0.391545D+00  0.769205D+00 -0.348080D+01 -0.689636D+00  0.537394D+00
      2  -0.338503D+00  0.418376D+01  0.463344D+01  0.623643D+00  0.300112D+01
      3   0.115424D+01 -0.119341D+02 -0.486704D+01  0.140545D+00 -0.465865D+01
                36            37            38            39            40 
      1  -0.213401D+01  0.317563D+01 -0.359241D+01 -0.591664D+00 -0.110799D+00
      2   0.389147D+01 -0.138267D+02 -0.477869D+01  0.114255D+02 -0.401577D+01
      3  -0.324395D+01  0.130309D+01 -0.998234D+01  0.153825D+01 -0.249181D+01
                41            42            43            44            45 
      1  -0.237754D+01 -0.105374D+02 -0.191697D+01 -0.501727D+01 -0.260786D-01
      2   0.145652D+02  0.723369D+00  0.666549D+01  0.222586D+01  0.106703D+01
      3   0.480249D-02 -0.148775D+02 -0.364711D+00 -0.135569D+02 -0.481269D-01
                46            47            48            49            50 
      1  -0.850119D+00  0.128465D+00  0.774346D-01 -0.109325D+01 -0.360716D+01
      2  -0.401819D+01 -0.709046D+00 -0.866411D+00 -0.879383D+00  0.955441D+00
      3   0.985589D+00  0.510389D+01  0.808572D+00  0.155986D+02  0.121750D+01
                51            52            53            54            55 
      1   0.150915D+01 -0.526933D+00  0.993730D+01  0.265173D+01 -0.104553D+01
      2   0.583716D+00 -0.145334D+02  0.411658D+00 -0.733902D+00  0.110470D+02
      3  -0.151971D+01 -0.177038D+00 -0.668071D+00  0.252520D+00  0.279415D+01
                56            57            58            59            60 
      1  -0.184867D+01 -0.114912D+01 -0.164675D+01 -0.176381D+00 -0.123085D+00
      2   0.139955D+01  0.607942D+01  0.149582D+01 -0.431169D+00  0.911027D+00
      3  -0.565443D+01 -0.264160D+00 -0.207205D+01 -0.999288D+00  0.170978D+01
                61            62            63            64            65 
      1  -0.601472D+00  0.104953D+01 -0.264270D+00  0.155402D+01  0.140677D+01
      2   0.148111D+01  0.249155D+00  0.129314D+01 -0.134948D+01 -0.122638D+01
      3  -0.181617D+00  0.137256D+01  0.292119D+00  0.259898D+01  0.127976D+01
                66            67            68            69            70 
      1   0.247035D+00  0.581989D+00  0.813372D+01  0.324911D+01 -0.103374D+00
      2  -0.212420D+01 -0.172192D+01 -0.734635D+01 -0.737543D+01 -0.232885D+01
      3   0.236852D+00  0.228340D+01  0.111398D+02  0.709886D+01 -0.274167D+00
                71            72            73            74            75 
      1   0.575972D+01  0.374348D+01 -0.148134D+01  0.223247D+01  0.434506D+00
      2  -0.452520D+01 -0.802026D+01 -0.304244D+01  0.309701D+01 -0.341123D+01
      3   0.611121D+01  0.481133D+01 -0.404699D+01  0.383496D+01 -0.214996D+01
                76            77            78            79            80 
      1   0.112233D+01 -0.497863D+01  0.537615D+00  0.313989D+00  0.363438D+01
      2   0.325432D+01 -0.808322D+01  0.646238D+01 -0.332147D+01  0.506934D+01
      3   0.453030D+01 -0.109045D+02  0.722710D+01 -0.991583D+00  0.579651D+01
                81            82            83            84            85 
      1  -0.421077D+00  0.312502D-01 -0.361087D+00  0.332286D+01 -0.101013D+01
      2  -0.765805D+01  0.178397D+01  0.548467D+00 -0.174401D+01  0.356925D+01
      3  -0.533532D+01  0.229065D+00  0.147851D+00  0.477786D+00  0.317688D+01
                86            87            88            89            90 
      1   0.313472D+00 -0.246747D+01  0.669051D+01  0.332726D+01  0.527208D+00
      2   0.467811D+00  0.752308D+00 -0.116884D+02 -0.678021D-01  0.186193D+00
      3  -0.611060D+01  0.980277D+00 -0.151783D+01  0.122436D+00 -0.554383D+01
                91            92            93            94            95 
      1  -0.429034D-01  0.983546D+00 -0.242687D+01  0.147701D+01  0.137283D+00
      2  -0.559867D+00  0.237801D+01  0.423362D+00  0.972431D+00 -0.322692D+01
      3   0.250042D+01 -0.124311D+02 -0.212337D+01  0.393914D+01 -0.801014D+00
                96            97            98            99           100 
      1  -0.379243D+01 -0.476207D+01  0.101947D+01 -0.123169D+01  0.281355D+00
      2   0.583867D+01 -0.788116D+01  0.839190D+01  0.409670D+01 -0.138700D-01
      3   0.184068D+01 -0.425866D-01  0.252772D+01 -0.424629D+01 -0.217295D+01
               101           102           103           104           105 
      1  -0.432769D+00 -0.121987D+01 -0.120445D+01 -0.269718D+01  0.262100D+01
      2  -0.534583D+00  0.896737D+01 -0.449128D+01  0.890355D-01  0.114988D+01
      3  -0.746955D+01  0.303108D+00  0.105350D+02 -0.196778D+01  0.131065D+01
               106           107           108           109           110 
      1  -0.204881D+01  0.106886D+02  0.265178D+01 -0.198949D+00 -0.834179D+00
      2   0.730947D+01  0.213186D+01  0.259002D+01 -0.813850D+00  0.152547D+01
      3   0.368686D+01  0.650689D+00 -0.500411D+00  0.320477D+01 -0.985872D+01
               111           112           113           114           115 
      1   0.339077D+01 -0.124163D+01 -0.163395D-01 -0.226853D+01  0.647073D+01
      2   0.276683D+01 -0.722230D+00  0.330054D+01 -0.658427D+01 -0.367655D+01
      3  -0.165217D+01  0.741724D+01  0.192665D+01 -0.216166D+01  0.209737D+00
               116           117           118           119           120 
      1   0.356306D+01  0.114612D+01  0.138882D+00  0.130276D+01 -0.241884D+01
      2  -0.942032D+01 -0.398316D+01  0.346948D+01  0.176966D+01 -0.160186D+01
      3  -0.313569D+01  0.393301D+01 -0.537230D+01 -0.355104D+01 -0.238275D+01
               121           122           123           124           125 
      1   0.101719D+01  0.991426D+00 -0.315032D+01 -0.481285D+01  0.119936D+01
      2   0.113170D+01 -0.479390D+00 -0.138913D+01 -0.128467D+02 -0.111311D+01
      3   0.394147D+01  0.581505D+01 -0.163969D+00 -0.193287D+01 -0.100158D+01
               126           127           128           129           130 
      1  -0.101539D+01 -0.795115D-01 -0.750598D+00  0.229241D+01  0.119221D+00
      2  -0.247508D+01  0.165152D+01 -0.774085D+00  0.648882D+00 -0.635865D+00
      3   0.473215D+01 -0.887481D+01  0.360779D+01  0.550589D+00  0.638626D+01
               131           132           133           134           135 
      1  -0.111736D+00 -0.311112D+01 -0.723296D-01  0.186456D+01 -0.179514D+00
      2   0.110337D+01 -0.118081D+01 -0.186432D+01  0.486268D+00 -0.182978D+00
      3  -0.505630D+01 -0.114940D+01  0.143810D+00 -0.842834D+00 -0.276651D+00
               136           137           138           139           140 
      1  -0.173512D+00  0.530031D-01 -0.170153D+01 -0.175906D+00  0.438707D+00
      2   0.258882D+00  0.564934D+00  0.160382D+01  0.521139D+00  0.279828D+01
      3  -0.727388D+00 -0.250147D+01 -0.427259D+00 -0.128495D+01 -0.134954D+02
               141           142           143           144           145 
      1  -0.432011D+01  0.607737D+00  0.210399D+01 -0.538332D+00 -0.118056D+00
      2   0.324526D+01 -0.624166D+00  0.122576D+00  0.690655D+00  0.122911D+01
      3  -0.255626D+01 -0.509193D+00 -0.314501D+01 -0.717577D+00 -0.699049D+00
               146           147           148           149           150 
      1   0.346819D+00 -0.578801D+00  0.719631D-02 -0.824178D-02 -0.404095D+00
      2  -0.379679D-02  0.609229D+01  0.166137D+01  0.373392D+00  0.872673D+00
      3  -0.530730D+01  0.482960D-01 -0.364354D+01 -0.130617D+01 -0.381974D+00
               151           152           153           154           155 
      1   0.405948D+00  0.652469D+00  0.244280D-01  0.187025D+00 -0.622514D+00
      2  -0.302374D+01 -0.195333D+00  0.279994D+00  0.513569D-01 -0.398371D-01
      3  -0.133001D+01 -0.718161D+00 -0.769723D-01  0.150063D+01 -0.480632D+01
               156           157           158           159           160 
      1   0.222466D+01  0.315811D+00  0.990711D-01 -0.333376D+01 -0.837015D+00
      2   0.276214D+01  0.851530D+00 -0.149347D+01 -0.336503D+01 -0.867252D+00
      3  -0.193854D+00 -0.326941D+01  0.108444D+02  0.133811D+01 -0.106430D+01
               161           162           163           164           165 
      1   0.164688D+01 -0.288818D+00  0.687144D-01  0.184649D+00 -0.154736D+01
      2   0.348782D+00 -0.448926D+00 -0.160755D+01 -0.112927D+01  0.128617D+00
      3   0.228945D+01  0.338310D+00  0.638819D+01  0.380423D+01  0.115626D+01
               166           167           168           169           170 
      1   0.112299D+00  0.601087D+00 -0.405570D+01  0.509802D+00  0.237017D+01
      2  -0.144194D+01 -0.212004D+01  0.188691D+00 -0.204373D+01 -0.715797D+00
      3   0.676651D+01  0.854090D+01  0.229198D+01  0.219532D+01  0.219164D+01
               171 
      1  -0.558927D+00
      2   0.568455D-02
      3   0.492149D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.273702D+02 -0.236518D+01 -0.210502D+01 -0.791445D+01  0.298522D+01
      2  -0.148990D+02 -0.101115D+01 -0.591326D+01  0.335157D+01  0.729123D+01
      3  -0.124713D+02  0.337633D+01  0.801827D+01  0.456288D+01 -0.102764D+02
      4  -0.153878D+02  0.161271D+02 -0.717766D+01  0.198021D+02 -0.117974D+02
      5   0.120899D+02 -0.847042D+01  0.231642D+02 -0.110267D+02  0.101269D+02
      6  -0.459827D+01  0.421598D+01 -0.667127D+01  0.743548D+01 -0.369305D+01
                 6             7             8             9            10 
      1  -0.524356D+01 -0.236957D+01 -0.262612D+01  0.172166D+02  0.612393D+01
      2   0.256795D+01 -0.293050D+01 -0.188638D+01 -0.533878D+01 -0.332441D+00
      3   0.267561D+01  0.530008D+01  0.451250D+01 -0.118778D+02 -0.579149D+01
      4   0.985684D+01 -0.577533D+01  0.303034D+00 -0.225644D+01  0.379800D+01
      5  -0.450084D+01  0.196940D+02 -0.809859D+00 -0.438720D+01  0.591799D+01
      6   0.592846D+01 -0.419760D+01  0.226952D+01  0.334037D+01  0.213877D+01
                11            12            13            14            15 
      1   0.199762D+01 -0.202731D+01  0.902959D+01  0.141440D+01  0.672146D+01
      2  -0.228585D+00 -0.247383D+01 -0.691870D+01 -0.835715D+01 -0.119114D+02
      3  -0.176904D+01  0.450114D+01 -0.211089D+01  0.694275D+01  0.518992D+01
      4  -0.106540D+02  0.450130D+01 -0.168235D+02 -0.169979D+02 -0.203327D+02
      5   0.459650D+01 -0.167600D+02  0.106049D+02 -0.192592D+02 -0.336145D+01
      6  -0.470336D+00 -0.505660D+00 -0.740033D+01 -0.100983D+02 -0.683307D+01
                16            17            18            19            20 
      1   0.713648D+01  0.640969D+01 -0.684430D+01 -0.379236D+01 -0.329913D+01
      2  -0.110015D+02 -0.590658D+01  0.817456D+01  0.512543D+00  0.523537D+00
      3   0.386506D+01 -0.503108D+00 -0.133026D+01  0.327981D+01  0.277560D+01
      4   0.103557D+02 -0.141112D+02 -0.849475D+01  0.503373D+00 -0.255587D+01
      5  -0.311920D+02 -0.816655D+01  0.700332D+01  0.134829D+01  0.206054D+01
      6  -0.604373D+01 -0.782074D+01  0.152376D+01 -0.823822D+00 -0.247491D+01
                21            22            23            24            25 
      1   0.100883D+02 -0.147378D+01 -0.479087D+01  0.456787D+01  0.684582D+01
      2   0.250844D+00  0.747131D-01  0.204867D+01 -0.125952D+01 -0.220621D+01
      3  -0.103392D+02  0.139907D+01  0.274220D+01 -0.330834D+01 -0.463961D+01
      4   0.122359D+01  0.194735D+01 -0.387255D+01  0.322923D+01 -0.206877D+01
      5  -0.556218D+01 -0.211105D+00  0.313511D+01 -0.468853D+01  0.294677D+01
      6   0.433424D+01 -0.248822D+00 -0.378415D+01  0.688805D+01  0.115111D+01
                26            27            28            29            30 
      1   0.577455D+01 -0.198282D+02  0.279667D+01  0.328990D+01  0.260429D+01
      2   0.377113D+00 -0.617842D+01  0.837986D+00 -0.271286D+00 -0.452645D+00
      3  -0.615166D+01  0.260066D+02 -0.363466D+01 -0.301862D+01 -0.215164D+01
      4   0.423014D+01 -0.581859D+01  0.885505D+01  0.103190D+02  0.362813D+01
      5  -0.711463D+01  0.217014D+02  0.438142D+01  0.361542D+01  0.726884D+01
      6   0.640319D+01 -0.114934D+02  0.437067D+01  0.198178D+01  0.167842D+01
                31            32            33            34            35 
      1   0.190221D+01 -0.949673D+01 -0.480453D+01  0.793530D+00 -0.511452D+01
      2   0.218797D+01  0.172622D+02  0.575889D+01  0.689744D+00  0.406226D+01
      3  -0.409018D+01 -0.776548D+01 -0.954361D+00 -0.148327D+01  0.105226D+01
      4   0.133315D+02  0.271603D+02  0.106499D+02  0.476910D+01  0.105596D+02
      5   0.443506D+01  0.104649D+02  0.106921D+02  0.916077D+01  0.881718D+01
      6   0.418835D+01  0.143988D+02  0.986368D+01  0.400365D+01  0.111554D+02
                36            37            38            39            40 
      1  -0.458577D+01 -0.601579D+02 -0.144218D+02  0.810641D+01 -0.133529D+02
      2   0.788829D+00  0.251611D+02  0.835934D+01  0.908389D+00  0.718494D+01
      3   0.379694D+01  0.349969D+02  0.606250D+01 -0.901480D+01  0.616801D+01
      4   0.922446D+01 -0.181838D+02  0.889314D+01 -0.300964D+01  0.743874D+01
      5   0.938847D+01  0.109395D+02 -0.344069D+00  0.144150D+02 -0.215528D+01
      6   0.933434D+01  0.349526D+01 -0.759477D+01  0.419428D+01 -0.335385D+01
                41            42            43            44            45 
      1   0.200058D+02 -0.487071D+01 -0.474615D+01 -0.668070D+01  0.145880D+02
      2  -0.435969D+01  0.964106D+01  0.118973D+02  0.934192D+01 -0.137412D+02
      3  -0.156461D+02 -0.477035D+01 -0.715110D+01 -0.266123D+01 -0.846825D+00
      4   0.516901D+01  0.198781D+02 -0.807636D+01  0.166104D+02  0.803382D+01
      5   0.148068D+02  0.571430D+01  0.256585D+02  0.777689D+01 -0.122413D+02
      6   0.255287D+01 -0.139806D+02  0.704364D+01 -0.104729D+02 -0.293164D+01
                46            47            48            49            50 
      1  -0.171107D+02 -0.237155D+01 -0.343984D+01  0.427032D+01 -0.965547D+01
      2   0.391406D+01  0.126536D+01 -0.893693D+00 -0.543094D+01  0.154536D+02
      3   0.131967D+02  0.110619D+01  0.433353D+01  0.116062D+01 -0.579816D+01
      4   0.244559D+01  0.429673D+01 -0.881239D+00 -0.109775D+02 -0.183906D+01
      5  -0.710307D+01 -0.136268D+01  0.216012D+01 -0.420088D+01  0.140858D+01
      6  -0.316711D+01  0.791308D+00  0.986850D+00 -0.334005D+01  0.609211D+01
                51            52            53            54            55 
      1  -0.112501D+01 -0.623537D+01 -0.227372D+01 -0.853591D+01  0.902490D+02
      2   0.694285D+01 -0.102285D+01  0.424421D+01 -0.351520D+01 -0.451923D+02
      3  -0.581784D+01  0.725822D+01 -0.197049D+01  0.120511D+02 -0.450567D+02
      4   0.116046D+01 -0.497666D+01  0.211963D+01  0.158138D+01  0.215177D+02
      5   0.960621D+00  0.571186D+01  0.128833D+01 -0.875563D+00 -0.279878D+02
      6  -0.271987D+01  0.515446D+00  0.680474D+01 -0.300758D+01 -0.408119D+01
                56            57            58            59            60 
      1   0.931409D+01 -0.486149D+01  0.794381D+01  0.610152D+01  0.525496D+00
      2  -0.298850D+01  0.606654D+01 -0.201402D+01 -0.222318D+01 -0.321214D+00
      3  -0.632559D+01 -0.120505D+01 -0.592979D+01 -0.387834D+01 -0.204282D+00
      4   0.130496D+02 -0.189502D+01  0.144454D+02  0.525547D+01 -0.301875D+01
      5  -0.337850D+01  0.139364D+02 -0.274630D+01 -0.410560D+01  0.159934D+01
      6  -0.310612D+01  0.215885D+01 -0.258152D+01 -0.135396D+01  0.317103D+01
                61            62            63            64            65 
      1   0.636588D+01  0.143337D+01  0.551304D+01  0.450648D+01 -0.246343D+01
      2  -0.739955D+00 -0.555507D+00 -0.355995D+01 -0.280208D+01  0.117056D+01
      3  -0.562593D+01 -0.877862D+00 -0.195310D+01 -0.170440D+01  0.129287D+01
      4   0.212813D+01 -0.583313D+00  0.159567D+01 -0.170694D+01 -0.449148D+00
      5   0.860107D+01  0.795040D+00 -0.561632D+00 -0.228252D+01  0.191315D+01
      6   0.123384D+01  0.215307D+01  0.265166D-02  0.240500D+01  0.185147D+01
                66            67            68            69            70 
      1  -0.495462D+01 -0.616585D+01 -0.893139D+01 -0.546657D+01 -0.335998D+01
      2   0.392263D+00  0.430613D+01  0.168451D+01 -0.535560D+01  0.229771D+01
      3   0.456235D+01  0.185972D+01  0.724688D+01  0.108222D+02  0.106227D+01
      4   0.402022D+00  0.255171D+01 -0.190091D+02 -0.122384D+02  0.168248D+01
      5  -0.493638D+00  0.771424D+01 -0.101096D+02 -0.139572D+02  0.434419D+01
      6  -0.448518D-01 -0.359464D+00  0.133549D+02  0.107764D+02 -0.831024D+00
                71            72            73            74            75 
      1  -0.431866D+01 -0.103308D+02 -0.598061D+00  0.880154D+01 -0.761945D+01
      2  -0.434352D+01 -0.564522D+01  0.106867D+01 -0.561464D+01  0.133238D+01
      3   0.866218D+01  0.159761D+02 -0.470606D+00 -0.318691D+01  0.628707D+01
      4  -0.105626D+02 -0.872959D+01  0.232616D+01 -0.223730D+01  0.117303D+01
      5  -0.739532D+01 -0.132065D+02  0.205598D+00 -0.634129D+00 -0.222098D+01
      6   0.101441D+02  0.810892D+01 -0.385823D+01  0.568709D+01 -0.469173D+01
                76            77            78            79            80 
      1   0.858096D+01 -0.185188D+02  0.120657D+02 -0.342587D+01  0.996551D+01
      2  -0.487197D+01  0.146301D+02 -0.441462D+01  0.668086D+00 -0.279915D+01
      3  -0.370899D+01  0.388864D+01 -0.765109D+01  0.275779D+01 -0.716636D+01
      4   0.286957D+01  0.160234D+02 -0.110247D+02 -0.497307D+00 -0.888963D+01
      5  -0.442009D+01 -0.816084D+01  0.833044D+01  0.225442D+01  0.570832D+01
      6   0.126676D+01 -0.178610D+02  0.151490D+02 -0.131375D+01  0.132181D+02
                81            82            83            84            85 
      1  -0.149832D+02 -0.731372D+00  0.176216D+02  0.462266D+01 -0.550289D+01
      2   0.877374D+00 -0.583561D+00 -0.123254D+02  0.569165D+00  0.141459D+02
      3   0.141058D+02  0.131493D+01 -0.529623D+01 -0.519182D+01 -0.864300D+01
      4   0.644323D+01  0.117387D+02 -0.115157D+02 -0.266763D+00  0.356189D+01
      5  -0.914890D+01  0.344650D+01 -0.682948D+00 -0.287643D+01  0.292004D+01
      6  -0.124423D+02  0.224862D+01 -0.755170D+00 -0.671859D+01  0.793825D+01
                86            87            88            89            90 
      1   0.205919D+01  0.505101D+01 -0.195741D+01  0.617032D+01 -0.136991D+02
      2  -0.566720D+01 -0.307182D+01  0.704152D+01 -0.751762D+01  0.143805D+01
      3   0.360801D+01 -0.197919D+01 -0.508411D+01  0.134731D+01  0.122611D+02
      4   0.145720D+02  0.279479D+01  0.305758D+01  0.118918D+01  0.343187D+01
      5   0.263972D+01 -0.560767D+00  0.285522D+01  0.216362D+01 -0.681928D+00
      6  -0.554575D+01  0.558917D+01 -0.362750D+01  0.110867D+02 -0.503444D+00
                91            92            93            94            95 
      1   0.102737D+02 -0.220149D+02 -0.256008D+01  0.206621D+02  0.118077D+02
      2  -0.925314D+01  0.146278D+02  0.414738D+00 -0.190333D+02 -0.162430D+02
      3  -0.102054D+01  0.738702D+01  0.214534D+01 -0.162883D+01  0.443531D+01
      4  -0.156343D+02 -0.643766D+01 -0.342928D+01  0.109783D+02 -0.400392D+01
      5  -0.541838D+01 -0.212450D+01 -0.229026D+01 -0.206387D+00 -0.728622D+01
      6  -0.424591D+01 -0.179343D+01  0.470978D+01 -0.527623D+01 -0.113159D+02
                96            97            98            99           100 
      1   0.306178D+01  0.427114D+01  0.236588D+00 -0.548240D+01 -0.152977D+02
      2  -0.710785D+01 -0.746419D+01 -0.853234D+01 -0.541928D+01  0.903477D+01
      3   0.404607D+01  0.319305D+01  0.829575D+01  0.109017D+02  0.626296D+01
      4  -0.679272D+01 -0.386988D+01 -0.100732D+02  0.124701D+02 -0.263176D+01
      5   0.117708D+02  0.124120D+02  0.130737D+02  0.875835D+01 -0.478304D+01
      6   0.640928D+01  0.506536D+01  0.137429D+02  0.307093D+01  0.390122D+00
               101           102           103           104           105 
      1  -0.391901D+01 -0.556438D+01  0.987800D+01 -0.211698D+02 -0.739882D+01
      2   0.281222D+01  0.198963D+01 -0.883724D+01  0.197068D+02  0.101596D+02
      3   0.110679D+01  0.357476D+01 -0.104076D+01  0.146303D+01 -0.276078D+01
      4   0.227216D+02 -0.945016D-01 -0.196043D+02 -0.380734D+01 -0.352916D+01
      5  -0.430716D+00  0.201562D+02 -0.122103D+02 -0.131666D+01  0.233642D+01
      6   0.207869D+00  0.247459D+01 -0.295554D+01  0.441322D+01 -0.455957D+01
               106           107           108           109           110 
      1  -0.389851D+01 -0.791081D+01  0.124380D+02 -0.148504D+01  0.243813D+02
      2  -0.320274D+00  0.590118D+01 -0.159658D+02 -0.213800D+01 -0.152938D+02
      3   0.421879D+01  0.200963D+01  0.352786D+01  0.362304D+01 -0.908750D+01
      4  -0.123092D+02 -0.101090D+01  0.188072D+01  0.168573D+02  0.254507D+01
      5   0.343789D+02  0.298998D+01  0.554679D+01  0.186155D+00  0.608945D+00
      6   0.134446D+01  0.655963D+01 -0.398358D+01  0.938954D+00 -0.135519D+01
               111           112           113           114           115 
      1   0.528886D+01 -0.264843D+02  0.449032D+01  0.138593D+01 -0.745292D+01
      2   0.553334D+00  0.262645D+02 -0.850410D+01 -0.169669D+01  0.950012D+01
      3  -0.584220D+01  0.219738D+00  0.401379D+01  0.310762D+00 -0.204720D+01
      4   0.210933D+01  0.168026D+01  0.104253D+02  0.934782D+01 -0.190143D+01
      5   0.573823D+01 -0.462941D+01  0.796369D+01 -0.135573D+02  0.189543D+02
      6  -0.760111D+01  0.732255D+01 -0.658786D+01  0.498392D+01 -0.589863D+01
               116           117           118           119           120 
      1   0.423186D+01  0.196154D+01  0.123746D+02 -0.122120D+02  0.977992D-01
      2  -0.806719D+01 -0.879740D+01 -0.805862D+01  0.929657D+01 -0.100573D+01
      3   0.383533D+01  0.683586D+01 -0.431600D+01  0.291542D+01  0.907932D+00
      4   0.860590D+01 -0.133565D+02 -0.745115D+01 -0.181418D+02 -0.304072D+01
      5  -0.138329D+02 -0.827212D+01  0.920990D+00 -0.207278D+01 -0.564337D+01
      6   0.120009D+02 -0.546225D+00 -0.210813D+01 -0.200908D+01  0.520809D+01
               121           122           123           124           125 
      1   0.453354D+00  0.933527D+01  0.425177D+01  0.175512D+01  0.381056D+01
      2  -0.915710D+01 -0.133232D+02 -0.784990D+01 -0.426969D+01 -0.103353D+02
      3   0.870375D+01  0.398797D+01  0.359812D+01  0.251457D+01  0.652474D+01
      4   0.113770D+02 -0.134737D+02 -0.192442D+01 -0.529543D+00 -0.311549D+01
      5  -0.762133D+00 -0.232254D+01 -0.114048D+01  0.369415D+01 -0.548405D+01
      6  -0.509059D+01 -0.103494D+02  0.457548D+01  0.165077D+01  0.124828D+02
               126           127           128           129           130 
      1  -0.150317D+02 -0.488720D+01  0.762127D+01  0.736948D+00  0.829292D+01
      2  -0.827762D+00  0.689164D+01 -0.107850D+02 -0.755505D+00 -0.113603D+02
      3   0.158595D+02 -0.200444D+01  0.316377D+01  0.185566D-01  0.306735D+01
      4  -0.696431D+01 -0.868576D+01  0.858589D+01  0.979169D+00  0.829727D+01
      5  -0.439903D+01 -0.119968D+01  0.959533D+00  0.188140D+01  0.117138D+01
      6   0.416913D+01  0.882447D+00 -0.121897D+01 -0.252639D+01 -0.232320D+01
               131           132           133           134           135 
      1  -0.204164D+02 -0.332819D+01  0.141285D+01 -0.355551D+01 -0.984489D+00
      2   0.278293D+02  0.266349D+01 -0.180370D+01  0.404734D+01  0.158305D+01
      3  -0.741294D+01  0.664695D+00  0.390852D+00 -0.491828D+00 -0.598561D+00
      4  -0.907461D+01 -0.933942D+00  0.116376D+01 -0.101666D+01 -0.202202D+01
      5  -0.123439D+01 -0.135855D+01  0.108431D+01 -0.729419D+00 -0.848576D+00
      6   0.440075D+01  0.506852D+01 -0.960839D+00  0.228586D+01  0.154547D+01
               136           137           138           139           140 
      1   0.545738D+01  0.459405D+01  0.896430D+00 -0.982967D+00 -0.155943D+02
      2   0.331480D+01  0.528632D+01  0.384969D+00  0.112994D+02  0.373713D+02
      3  -0.877218D+01 -0.988037D+01 -0.128140D+01 -0.103164D+02 -0.217770D+02
      4   0.185085D+02  0.232261D+02  0.497604D+01  0.239636D+02  0.464600D+02
      5   0.429412D+01  0.501509D+01  0.457164D+01  0.520205D+01  0.932982D+01
      6   0.327975D+01  0.389474D+01  0.293079D+01  0.517463D+01  0.127331D+02
               141           142           143           144           145 
      1  -0.342260D+01  0.124303D+00 -0.289073D+01 -0.179693D+01  0.100356D+03
      2   0.531490D+01  0.201452D+01  0.716288D+01  0.300385D+01 -0.564430D+02
      3  -0.189231D+01 -0.213883D+01 -0.427215D+01 -0.120692D+01 -0.439129D+02
      4   0.939558D+01  0.609275D+01  0.113431D+02  0.411625D+01  0.130921D+02
      5   0.606967D+01  0.235217D+01  0.337251D+01  0.235379D+01  0.100740D+02
      6   0.885493D+01  0.237467D+01  0.496813D+01  0.338665D+01 -0.183646D+01
               146           147           148           149           150 
      1   0.889078D+01  0.638782D+01  0.696567D+01  0.945357D+01  0.178518D+01
      2  -0.440295D+01 -0.431816D+01 -0.304457D+01 -0.424843D+01 -0.142486D+01
      3  -0.448783D+01 -0.206966D+01 -0.392110D+01 -0.520515D+01 -0.360319D+00
      4   0.951320D+01  0.687014D+00  0.153298D+02  0.412576D+01  0.132897D+01
      5   0.746038D+00  0.102683D+02  0.364968D+01  0.151371D+01  0.140517D+01
      6   0.291410D+00  0.541719D+00  0.824247D+00  0.147231D-01  0.146972D+01
               151           152           153           154           155 
      1   0.749744D+01  0.195933D+01  0.361083D+01  0.214277D+02 -0.134755D+02
      2  -0.409420D+01 -0.987435D+00 -0.209731D+01 -0.347318D+01 -0.142022D+01
      3  -0.340324D+01 -0.971899D+00 -0.151351D+01 -0.179545D+02  0.148957D+02
      4   0.387005D+01  0.144814D+01  0.805126D+00 -0.328277D+02  0.304520D+02
      5   0.267750D+01  0.457656D+00  0.123687D+01 -0.548743D+01  0.391536D+01
      6   0.168626D+00  0.457703D+00  0.394163D+00  0.209131D+01 -0.170660D+01
               156           157           158           159           160 
      1  -0.235624D+01 -0.891825D+01  0.327050D+01  0.662084D+00 -0.749487D+00
      2   0.810968D+00 -0.650663D+01  0.170990D+02  0.865200D+00 -0.125511D+01
      3   0.154528D+01  0.154249D+02 -0.203695D+02 -0.152728D+01  0.200460D+01
      4   0.390670D+01  0.334412D+02 -0.438786D+02 -0.671191D+01  0.543167D+01
      5   0.582412D+01  0.591591D+01 -0.696917D+01 -0.578481D+01  0.252448D+01
      6  -0.313146D+01 -0.371855D+01  0.528735D+01  0.587124D+01 -0.191982D+01
               161           162           163           164           165 
      1  -0.294045D-01  0.750490D-01 -0.516654D+01 -0.878869D+01 -0.264406D+01
      2   0.278457D+01  0.120670D+01  0.658549D+01  0.104093D+02  0.179107D+01
      3  -0.275517D+01 -0.128175D+01 -0.141895D+01 -0.162064D+01  0.852989D+00
      4  -0.710488D+01 -0.334132D+01  0.375241D+01  0.735664D+01  0.137606D+01
      5  -0.259302D+01 -0.148500D+01  0.980308D+00  0.123774D+01  0.160259D+01
      6   0.264097D+01  0.173598D+01  0.247823D+01  0.356292D+01  0.267345D+01
               166           167           168           169           170 
      1  -0.777408D+01 -0.324128D+02 -0.786335D+01 -0.235581D+01 -0.803663D+01
      2   0.954062D+01  0.426753D+02  0.738958D+01  0.265074D+01  0.956451D+01
      3  -0.176654D+01 -0.102625D+02  0.473771D+00 -0.294932D+00 -0.152788D+01
      4   0.517114D+01 -0.551496D+00 -0.612107D+00  0.145331D+01  0.588007D-01
      5   0.955383D+00 -0.624948D+00  0.310525D-01  0.668834D+00  0.568268D+00
      6   0.302063D+01  0.125092D+02  0.863438D+01  0.112708D+01  0.501446D+01
               171 
      1  -0.339363D+01
      2   0.392051D+01
      3  -0.526878D+00
      4   0.140081D+01
      5   0.641542D+00
      6   0.346339D+01
 Leave Link  716 at Thu Aug 12 21:30:11 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128781D+03  0.885755D+00  0.522780D+00
      2   0.885755D+00  0.105095D+03  0.516756D+01
      3   0.522780D+00  0.516756D+01  0.751401D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.122188D+01  0.650959D+01  0.473133D+01
      2   0.154769D+01  0.125310D+02 -0.420912D+01
      3  -0.795249D+01 -0.421723D+02 -0.122944D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.971228D+02  0.482131D+01  0.498657D+01
      2  -0.347117D+02 -0.127183D+02 -0.160456D+02
      3  -0.624111D+02  0.789698D+01  0.110590D+02
      4  -0.145198D+02  0.840550D+02  0.288326D+02
      5   0.329899D+02  0.298672D+02 -0.149895D+02
      6   0.112114D+02  0.105050D+02 -0.742028D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.590648D+01  0.222489D+01 -0.119677D+01  0.355007D+01 -0.238449D+01
      2   0.222489D+01 -0.112500D+01  0.183765D+01 -0.238449D+01  0.126822D+01
      3  -0.119677D+01  0.183765D+01 -0.327843D+01  0.141888D+01 -0.156969D+01
                 6             7             8             9            10 
      1   0.141888D+01  0.643899D+00  0.966813D+00 -0.274902D+01  0.444715D+01
      2  -0.156969D+01  0.966813D+00  0.112247D+01 -0.425131D+00  0.138821D+00
      3  -0.913466D-01 -0.274902D+01 -0.425131D+00  0.346740D+01 -0.120785D+01
                11            12            13            14            15 
      1   0.138821D+00 -0.120785D+01  0.239347D+00  0.290565D+01 -0.136299D+01
      2   0.491503D+00 -0.130577D+01  0.290565D+01  0.433475D+01  0.412640D+01
      3  -0.130577D+01  0.224359D+01 -0.136299D+01  0.412640D+01  0.138121D+01
                16            17            18            19            20 
      1  -0.496793D+01 -0.129964D+01  0.498842D+01  0.976560D+00  0.766917D-01
      2  -0.129964D+01  0.235964D+01  0.190763D+01  0.766917D-01  0.523610D+00
      3   0.498842D+01  0.190763D+01 -0.183734D+01 -0.603378D+00 -0.929942D+00
                21            22            23            24            25 
      1  -0.603378D+00  0.106769D+00 -0.175058D+00 -0.174466D+00 -0.148383D+01
      2  -0.929942D+00 -0.175058D+00  0.121325D+01 -0.112224D+01 -0.161004D-01
      3   0.231910D+01 -0.174466D+00 -0.112224D+01  0.132546D+01  0.293089D+00
                26            27            28            29            30 
      1  -0.161004D-01  0.293089D+00 -0.529921D+00 -0.149764D+01 -0.661380D+00
      2  -0.168725D+01  0.197928D+01 -0.149764D+01 -0.104303D+01 -0.391649D+00
      3   0.197928D+01 -0.679726D+01 -0.661380D+00 -0.391649D+00 -0.888799D+00
                31            32            33            34            35 
      1  -0.300405D+01 -0.208424D+01 -0.643599D+00 -0.635949D+00 -0.672041D+00
      2  -0.208424D+01 -0.602213D+01 -0.238220D+01 -0.672041D+00 -0.236024D+01
      3  -0.643599D+00 -0.238220D+01 -0.236044D+01 -0.136981D+01 -0.208845D+01
                36            37            38            39            40 
      1  -0.136981D+01  0.934912D+01  0.169144D+01  0.465309D+00  0.146765D+01
      2  -0.208845D+01  0.169144D+01 -0.189612D+01  0.963076D+00 -0.169930D+01
      3  -0.222942D+01  0.465309D+00  0.963076D+00 -0.296186D+01  0.117124D+01
                41            42            43            44            45 
      1  -0.169930D+01  0.117124D+01  0.593377D+01  0.150033D+01 -0.426476D+01
      2  -0.358123D+00 -0.447270D+01  0.150033D+01 -0.336793D+01 -0.111818D+01
      3  -0.447270D+01 -0.664708D+00 -0.426476D+01 -0.111818D+01  0.132143D+01
                46            47            48            49            50 
      1  -0.169414D+02 -0.181681D+01  0.489222D-01 -0.344322D+01  0.140430D+01
      2  -0.181681D+01 -0.253808D+01  0.271049D+00  0.140430D+01 -0.502216D+00
      3   0.489222D-01  0.271049D+00 -0.252697D+01  0.104001D+01 -0.226164D+00
                51            52            53            54            55 
      1   0.104001D+01 -0.750192D+00  0.107512D+01 -0.393321D+01 -0.143943D+02
      2  -0.226164D+00  0.107512D+01 -0.552842D+00 -0.599380D+00 -0.176032D+01
      3  -0.120501D+00 -0.393321D+01 -0.599380D+00 -0.732906D+00  0.149767D+01
                56            57            58            59            60 
      1  -0.176032D+01  0.149767D+01 -0.163939D+01 -0.150528D+01  0.135452D+00
      2  -0.117208D+01  0.185941D+00 -0.150528D+01 -0.586847D+00  0.591104D+00
      3   0.185941D+00 -0.145945D+01  0.135452D+00  0.591104D+00 -0.231217D+00
                61            62            63            64            65 
      1  -0.137390D+01 -0.263342D+00 -0.812428D+00 -0.596030D+00  0.672549D+00
      2  -0.263342D+00  0.843356D-01 -0.108744D+00  0.672549D+00  0.428642D+00
      3  -0.812428D+00 -0.108744D+00 -0.200904D+00  0.330027D+00  0.451269D-01
                66            67            68            69            70 
      1   0.330027D+00  0.188469D+01 -0.719344D-01 -0.784022D+00  0.712571D+00
      2   0.451269D-01 -0.719344D-01  0.377114D+01  0.247313D+01 -0.297001D+00
      3   0.828297D+00 -0.784022D+00  0.247313D+01  0.308233D+01 -0.107151D+00
                71            72            73            74            75 
      1  -0.297001D+00 -0.107151D+00  0.718537D-01 -0.101054D+01  0.512866D+00
      2   0.210783D+01  0.172147D+01 -0.101054D+01  0.124545D+01 -0.795905D+00
      3   0.172147D+01  0.331393D+01  0.512866D+00 -0.795905D+00  0.147478D+01
                76            77            78            79            80 
      1  -0.155868D+01  0.321746D+00 -0.642535D-01  0.356731D+00 -0.221573D+00
      2   0.321746D+00 -0.423989D+01  0.277031D+01 -0.221573D+00  0.219144D+01
      3  -0.642535D-01  0.277031D+01 -0.257054D+01  0.387453D+00 -0.187648D+01
                81            82            83            84            85 
      1   0.387453D+00  0.382810D+01 -0.850718D+00  0.220795D+00  0.790844D+01
      2  -0.187648D+01 -0.850718D+00 -0.338987D+01 -0.514551D+00  0.415514D-01
      3   0.305381D+01  0.220795D+00 -0.514551D+00 -0.201821D+01  0.460089D+00
                86            87            88            89            90 
      1   0.415514D-01  0.460089D+00  0.242883D+01 -0.834570D-01 -0.178061D+01
      2   0.152069D+01 -0.847998D+00 -0.834570D-01 -0.153098D+01  0.299278D+01
      3  -0.847998D+00  0.181246D+01 -0.178061D+01  0.299278D+01  0.109684D+01
                91            92            93            94            95 
      1  -0.394793D+01 -0.456479D+00 -0.194214D+00  0.506586D+01  0.135893D+00
      2  -0.456479D+00  0.244837D+01 -0.373633D+00  0.135893D+00  0.116233D+01
      3  -0.194214D+00 -0.373633D+00  0.964971D+00 -0.390816D+00 -0.112611D+01
                96            97            98            99           100 
      1  -0.390816D+00  0.538930D+00 -0.840735D+00  0.187203D+01  0.533361D+01
      2  -0.112611D+01 -0.840735D+00 -0.139943D+01  0.359154D+01  0.307756D+00
      3   0.232042D+01  0.187203D+01  0.359154D+01  0.250341D+01 -0.518937D+00
               101           102           103           104           105 
      1   0.307756D+00 -0.518937D+00  0.880405D+00 -0.272543D+00 -0.113273D+01
      2   0.331951D+01 -0.972621D-02 -0.272543D+00  0.235732D+00 -0.613205D+00
      3  -0.972621D-02  0.328070D+01 -0.113273D+01 -0.613205D+00  0.187503D+00
               106           107           108           109           110 
      1  -0.119485D+00 -0.115490D+01  0.520793D+01 -0.231558D+01 -0.733108D+00
      2  -0.115490D+01  0.130164D+00  0.440000D+00 -0.733108D+00  0.269917D+01
      3   0.520793D+01  0.440000D+00  0.108982D+01 -0.507683D+00  0.760584D+00
               111           112           113           114           115 
      1  -0.507683D+00 -0.557887D+01 -0.912242D+00 -0.967269D+00 -0.149494D+01
      2   0.760584D+00 -0.912242D+00 -0.977222D+00  0.131465D+01 -0.667174D+00
      3   0.199797D+01 -0.967269D+00  0.131465D+01 -0.216234D+01  0.283088D+01
               116           117           118           119           120 
      1  -0.667174D+00  0.283088D+01  0.518753D+01  0.244372D+01  0.947844D+00
      2   0.170882D+01 -0.305505D+01  0.244372D+01 -0.237627D+01 -0.945748D-01
      3  -0.305505D+01 -0.143476D+01  0.947844D+00 -0.945748D-01 -0.114783D+01
               121           122           123           124           125 
      1  -0.644934D+01 -0.497866D+00  0.189956D+00 -0.589887D+00  0.996211D+00
      2  -0.497866D+00 -0.166922D+01  0.110985D+01  0.996211D+00  0.122932D+01
      3   0.189956D+00  0.110985D+01 -0.199398D+01 -0.932237D+00 -0.329186D+01
               126           127           128           129           130 
      1  -0.932237D+00 -0.333591D+01  0.234381D+01  0.295772D+00  0.237769D+01
      2  -0.329186D+01  0.234381D+01 -0.275247D+01 -0.248932D+00 -0.288028D+01
      3  -0.271857D+01  0.295772D+00 -0.248932D+00 -0.487938D+00 -0.495318D+00
               131           132           133           134           135 
      1  -0.288028D+01 -0.495318D+00  0.259412D+00 -0.446255D+00 -0.586539D-01
      2   0.589410D+01  0.803640D+00 -0.446255D+00  0.104908D+01  0.252559D+00
      3   0.803640D+00  0.809802D+00 -0.586539D-01  0.252559D+00  0.226801D+00
               136           137           138           139           140 
      1   0.227625D+01  0.262506D+01  0.650328D+00  0.224840D+01  0.374147D+01
      2   0.262506D+01  0.287459D+01  0.668367D+00  0.374147D+01  0.935410D+01
      3   0.650328D+00  0.668367D+00  0.504558D+00  0.849127D+00  0.196373D+01
               141           142           143           144           145 
      1   0.849127D+00  0.684813D+00  0.102873D+01  0.286043D+00  0.132514D+02
      2   0.196373D+01  0.102873D+01  0.222669D+01  0.537510D+00  0.126094D+01
      3   0.125024D+01  0.286043D+00  0.537510D+00  0.327644D+00  0.995122D+00
               146           147           148           149           150 
      1   0.126094D+01  0.995122D+00  0.111598D+01  0.163183D+01  0.442172D+00
      2   0.876231D+00  0.811948D-01  0.163183D+01  0.460653D+00  0.150621D+00
      3   0.811948D-01  0.944856D+00  0.442172D+00  0.150621D+00  0.149066D+00
               151           152           153           154           155 
      1   0.101728D+01  0.424330D+00  0.497386D-01  0.488037D+01 -0.384609D+01
      2   0.424330D+00  0.108588D+00  0.205492D-01 -0.384609D+01  0.357391D+01
      3   0.497386D-01  0.205492D-01  0.967019D-01 -0.581311D+00  0.432594D+00
               156           157           158           159           160 
      1  -0.581311D+00 -0.364880D+01  0.439899D+01  0.806425D+00 -0.583960D+00
      2   0.432594D+00  0.439899D+01 -0.655957D+01 -0.104608D+01  0.701904D+00
      3   0.606024D+00  0.806425D+00 -0.104608D+01 -0.886491D+00  0.201791D+00
               161           162           163           164           165 
      1   0.701904D+00  0.201791D+00 -0.163439D+01 -0.181396D+01 -0.493136D+00
      2  -0.130465D+01 -0.272146D+00 -0.181396D+01 -0.218807D+01 -0.580895D+00
      3  -0.272146D+00 -0.187758D+00 -0.493136D+00 -0.580895D+00 -0.395365D+00
               166           167           168           169           170 
      1  -0.152294D+01 -0.209819D+01 -0.497891D+00 -0.576158D+00 -0.731220D+00
      2  -0.209819D+01 -0.829974D+01 -0.189704D+01 -0.731220D+00 -0.211505D+01
      3  -0.497891D+00 -0.189704D+01 -0.123693D+01 -0.109511D+00 -0.607903D+00
               171 
      1  -0.109511D+00
      2  -0.607903D+00
      3  -0.358877D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.469041D-01  0.276121D+01  0.236553D+01  0.443234D+00 -0.338451D+01
      2  -0.393192D+01 -0.366329D+01  0.132823D+02 -0.269597D+00  0.108734D+01
      3   0.377392D+01 -0.992717D+01  0.552815D+01 -0.290683D+01  0.548619D+01
                 6             7             8             9            10 
      1  -0.263502D+01 -0.105126D+01  0.429122D+01 -0.473032D+01 -0.112468D+01
      2   0.838791D+00  0.509476D+01  0.339238D+01 -0.101152D+02  0.377483D+01
      3  -0.317224D+01  0.265946D+01  0.884883D+00 -0.340460D+01 -0.213439D+01
                11            12            13            14            15 
      1  -0.359903D+00  0.160148D+00  0.160360D+01  0.339727D+01 -0.645240D+00
      2   0.175352D+01 -0.303775D+01  0.668071D+00 -0.809645D+01 -0.274638D+01
      3   0.150411D+01 -0.638530D+00  0.126626D+02  0.564670D+01  0.972928D+01
                16            17            18            19            20 
      1   0.363902D+01  0.304398D+01 -0.981025D+00  0.245437D-01 -0.470669D+00
      2  -0.161157D+02 -0.495789D+01  0.315412D+01  0.509657D+01  0.205580D+01
      3   0.438684D+00  0.914564D+01  0.118734D+01  0.201826D+01  0.215551D+01
                21            22            23            24            25 
      1  -0.186639D+01 -0.186457D+00 -0.105196D+00 -0.116201D+01 -0.766863D+00
      2  -0.624513D+01  0.390848D+00  0.235281D+01 -0.355914D+01 -0.476293D+01
      3  -0.295029D+01  0.168087D+01  0.240349D+01 -0.241358D+01 -0.108851D+01
                26            27            28            29            30 
      1   0.865210D+00  0.420713D+01 -0.393727D+00 -0.126894D+00 -0.101492D+01
      2  -0.528577D+01  0.160991D+02  0.106215D+01  0.348237D+00  0.242028D+01
      3  -0.336586D+01  0.735482D+01 -0.371734D+01 -0.248593D+01 -0.447944D+00
                31            32            33            34            35 
      1  -0.391545D+00  0.769205D+00 -0.348080D+01 -0.689636D+00  0.537394D+00
      2  -0.338503D+00  0.418376D+01  0.463344D+01  0.623643D+00  0.300112D+01
      3   0.115424D+01 -0.119341D+02 -0.486704D+01  0.140545D+00 -0.465865D+01
                36            37            38            39            40 
      1  -0.213401D+01  0.317563D+01 -0.359241D+01 -0.591664D+00 -0.110799D+00
      2   0.389147D+01 -0.138267D+02 -0.477869D+01  0.114255D+02 -0.401577D+01
      3  -0.324395D+01  0.130309D+01 -0.998234D+01  0.153825D+01 -0.249181D+01
                41            42            43            44            45 
      1  -0.237754D+01 -0.105374D+02 -0.191697D+01 -0.501727D+01 -0.260786D-01
      2   0.145652D+02  0.723369D+00  0.666549D+01  0.222586D+01  0.106703D+01
      3   0.480249D-02 -0.148775D+02 -0.364711D+00 -0.135569D+02 -0.481269D-01
                46            47            48            49            50 
      1  -0.850119D+00  0.128465D+00  0.774346D-01 -0.109325D+01 -0.360716D+01
      2  -0.401819D+01 -0.709046D+00 -0.866411D+00 -0.879383D+00  0.955441D+00
      3   0.985589D+00  0.510389D+01  0.808572D+00  0.155986D+02  0.121750D+01
                51            52            53            54            55 
      1   0.150915D+01 -0.526933D+00  0.993730D+01  0.265173D+01 -0.104553D+01
      2   0.583716D+00 -0.145334D+02  0.411658D+00 -0.733902D+00  0.110470D+02
      3  -0.151971D+01 -0.177038D+00 -0.668071D+00  0.252520D+00  0.279415D+01
                56            57            58            59            60 
      1  -0.184867D+01 -0.114912D+01 -0.164675D+01 -0.176381D+00 -0.123085D+00
      2   0.139955D+01  0.607942D+01  0.149582D+01 -0.431169D+00  0.911027D+00
      3  -0.565443D+01 -0.264160D+00 -0.207205D+01 -0.999288D+00  0.170978D+01
                61            62            63            64            65 
      1  -0.601472D+00  0.104953D+01 -0.264270D+00  0.155402D+01  0.140677D+01
      2   0.148111D+01  0.249155D+00  0.129314D+01 -0.134948D+01 -0.122638D+01
      3  -0.181617D+00  0.137256D+01  0.292119D+00  0.259898D+01  0.127976D+01
                66            67            68            69            70 
      1   0.247035D+00  0.581989D+00  0.813372D+01  0.324911D+01 -0.103374D+00
      2  -0.212420D+01 -0.172192D+01 -0.734635D+01 -0.737543D+01 -0.232885D+01
      3   0.236852D+00  0.228340D+01  0.111398D+02  0.709886D+01 -0.274167D+00
                71            72            73            74            75 
      1   0.575972D+01  0.374348D+01 -0.148134D+01  0.223247D+01  0.434506D+00
      2  -0.452520D+01 -0.802026D+01 -0.304244D+01  0.309701D+01 -0.341123D+01
      3   0.611121D+01  0.481133D+01 -0.404699D+01  0.383496D+01 -0.214996D+01
                76            77            78            79            80 
      1   0.112233D+01 -0.497863D+01  0.537615D+00  0.313989D+00  0.363438D+01
      2   0.325432D+01 -0.808322D+01  0.646238D+01 -0.332147D+01  0.506934D+01
      3   0.453030D+01 -0.109045D+02  0.722710D+01 -0.991583D+00  0.579651D+01
                81            82            83            84            85 
      1  -0.421077D+00  0.312502D-01 -0.361087D+00  0.332286D+01 -0.101013D+01
      2  -0.765805D+01  0.178397D+01  0.548467D+00 -0.174401D+01  0.356925D+01
      3  -0.533532D+01  0.229065D+00  0.147851D+00  0.477786D+00  0.317688D+01
                86            87            88            89            90 
      1   0.313472D+00 -0.246747D+01  0.669051D+01  0.332726D+01  0.527208D+00
      2   0.467811D+00  0.752308D+00 -0.116884D+02 -0.678021D-01  0.186193D+00
      3  -0.611060D+01  0.980277D+00 -0.151783D+01  0.122436D+00 -0.554383D+01
                91            92            93            94            95 
      1  -0.429034D-01  0.983546D+00 -0.242687D+01  0.147701D+01  0.137283D+00
      2  -0.559867D+00  0.237801D+01  0.423362D+00  0.972431D+00 -0.322692D+01
      3   0.250042D+01 -0.124311D+02 -0.212337D+01  0.393914D+01 -0.801014D+00
                96            97            98            99           100 
      1  -0.379243D+01 -0.476207D+01  0.101947D+01 -0.123169D+01  0.281355D+00
      2   0.583867D+01 -0.788116D+01  0.839190D+01  0.409670D+01 -0.138700D-01
      3   0.184068D+01 -0.425866D-01  0.252772D+01 -0.424629D+01 -0.217295D+01
               101           102           103           104           105 
      1  -0.432769D+00 -0.121987D+01 -0.120445D+01 -0.269718D+01  0.262100D+01
      2  -0.534583D+00  0.896737D+01 -0.449128D+01  0.890355D-01  0.114988D+01
      3  -0.746955D+01  0.303108D+00  0.105350D+02 -0.196778D+01  0.131065D+01
               106           107           108           109           110 
      1  -0.204881D+01  0.106886D+02  0.265178D+01 -0.198949D+00 -0.834179D+00
      2   0.730947D+01  0.213186D+01  0.259002D+01 -0.813850D+00  0.152547D+01
      3   0.368686D+01  0.650689D+00 -0.500411D+00  0.320477D+01 -0.985872D+01
               111           112           113           114           115 
      1   0.339077D+01 -0.124163D+01 -0.163395D-01 -0.226853D+01  0.647073D+01
      2   0.276683D+01 -0.722230D+00  0.330054D+01 -0.658427D+01 -0.367655D+01
      3  -0.165217D+01  0.741724D+01  0.192665D+01 -0.216166D+01  0.209737D+00
               116           117           118           119           120 
      1   0.356306D+01  0.114612D+01  0.138882D+00  0.130276D+01 -0.241884D+01
      2  -0.942032D+01 -0.398316D+01  0.346948D+01  0.176966D+01 -0.160186D+01
      3  -0.313569D+01  0.393301D+01 -0.537230D+01 -0.355104D+01 -0.238275D+01
               121           122           123           124           125 
      1   0.101719D+01  0.991426D+00 -0.315032D+01 -0.481285D+01  0.119936D+01
      2   0.113170D+01 -0.479390D+00 -0.138913D+01 -0.128467D+02 -0.111311D+01
      3   0.394147D+01  0.581505D+01 -0.163969D+00 -0.193287D+01 -0.100158D+01
               126           127           128           129           130 
      1  -0.101539D+01 -0.795115D-01 -0.750598D+00  0.229241D+01  0.119221D+00
      2  -0.247508D+01  0.165152D+01 -0.774085D+00  0.648882D+00 -0.635865D+00
      3   0.473215D+01 -0.887481D+01  0.360779D+01  0.550589D+00  0.638626D+01
               131           132           133           134           135 
      1  -0.111736D+00 -0.311112D+01 -0.723296D-01  0.186456D+01 -0.179514D+00
      2   0.110337D+01 -0.118081D+01 -0.186432D+01  0.486268D+00 -0.182978D+00
      3  -0.505630D+01 -0.114940D+01  0.143810D+00 -0.842834D+00 -0.276651D+00
               136           137           138           139           140 
      1  -0.173512D+00  0.530031D-01 -0.170153D+01 -0.175906D+00  0.438707D+00
      2   0.258882D+00  0.564934D+00  0.160382D+01  0.521139D+00  0.279828D+01
      3  -0.727388D+00 -0.250147D+01 -0.427259D+00 -0.128495D+01 -0.134954D+02
               141           142           143           144           145 
      1  -0.432011D+01  0.607737D+00  0.210399D+01 -0.538332D+00 -0.118056D+00
      2   0.324526D+01 -0.624166D+00  0.122576D+00  0.690655D+00  0.122911D+01
      3  -0.255626D+01 -0.509193D+00 -0.314501D+01 -0.717577D+00 -0.699049D+00
               146           147           148           149           150 
      1   0.346819D+00 -0.578801D+00  0.719631D-02 -0.824178D-02 -0.404095D+00
      2  -0.379679D-02  0.609229D+01  0.166137D+01  0.373392D+00  0.872673D+00
      3  -0.530730D+01  0.482960D-01 -0.364354D+01 -0.130617D+01 -0.381974D+00
               151           152           153           154           155 
      1   0.405948D+00  0.652469D+00  0.244280D-01  0.187025D+00 -0.622514D+00
      2  -0.302374D+01 -0.195333D+00  0.279994D+00  0.513569D-01 -0.398371D-01
      3  -0.133001D+01 -0.718161D+00 -0.769723D-01  0.150063D+01 -0.480632D+01
               156           157           158           159           160 
      1   0.222466D+01  0.315811D+00  0.990711D-01 -0.333376D+01 -0.837015D+00
      2   0.276214D+01  0.851530D+00 -0.149347D+01 -0.336503D+01 -0.867252D+00
      3  -0.193854D+00 -0.326941D+01  0.108444D+02  0.133811D+01 -0.106430D+01
               161           162           163           164           165 
      1   0.164688D+01 -0.288818D+00  0.687144D-01  0.184649D+00 -0.154736D+01
      2   0.348782D+00 -0.448926D+00 -0.160755D+01 -0.112927D+01  0.128617D+00
      3   0.228945D+01  0.338310D+00  0.638819D+01  0.380423D+01  0.115626D+01
               166           167           168           169           170 
      1   0.112299D+00  0.601087D+00 -0.405570D+01  0.509802D+00  0.237017D+01
      2  -0.144194D+01 -0.212004D+01  0.188691D+00 -0.204373D+01 -0.715797D+00
      3   0.676651D+01  0.854090D+01  0.229198D+01  0.219532D+01  0.219164D+01
               171 
      1  -0.558927D+00
      2   0.568455D-02
      3   0.492149D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.273702D+02 -0.236518D+01 -0.210502D+01 -0.791445D+01  0.298522D+01
      2  -0.148990D+02 -0.101115D+01 -0.591326D+01  0.335157D+01  0.729123D+01
      3  -0.124713D+02  0.337633D+01  0.801827D+01  0.456288D+01 -0.102764D+02
      4  -0.153878D+02  0.161271D+02 -0.717766D+01  0.198021D+02 -0.117974D+02
      5   0.120899D+02 -0.847042D+01  0.231642D+02 -0.110267D+02  0.101269D+02
      6  -0.459827D+01  0.421598D+01 -0.667127D+01  0.743548D+01 -0.369305D+01
                 6             7             8             9            10 
      1  -0.524356D+01 -0.236957D+01 -0.262612D+01  0.172166D+02  0.612393D+01
      2   0.256795D+01 -0.293050D+01 -0.188638D+01 -0.533878D+01 -0.332441D+00
      3   0.267561D+01  0.530008D+01  0.451250D+01 -0.118778D+02 -0.579149D+01
      4   0.985684D+01 -0.577533D+01  0.303034D+00 -0.225644D+01  0.379800D+01
      5  -0.450084D+01  0.196940D+02 -0.809859D+00 -0.438720D+01  0.591799D+01
      6   0.592846D+01 -0.419760D+01  0.226952D+01  0.334037D+01  0.213877D+01
                11            12            13            14            15 
      1   0.199762D+01 -0.202731D+01  0.902959D+01  0.141440D+01  0.672146D+01
      2  -0.228585D+00 -0.247383D+01 -0.691870D+01 -0.835715D+01 -0.119114D+02
      3  -0.176904D+01  0.450114D+01 -0.211089D+01  0.694275D+01  0.518992D+01
      4  -0.106540D+02  0.450130D+01 -0.168235D+02 -0.169979D+02 -0.203327D+02
      5   0.459650D+01 -0.167600D+02  0.106049D+02 -0.192592D+02 -0.336145D+01
      6  -0.470336D+00 -0.505660D+00 -0.740033D+01 -0.100983D+02 -0.683307D+01
                16            17            18            19            20 
      1   0.713648D+01  0.640969D+01 -0.684430D+01 -0.379236D+01 -0.329913D+01
      2  -0.110015D+02 -0.590658D+01  0.817456D+01  0.512543D+00  0.523537D+00
      3   0.386506D+01 -0.503108D+00 -0.133026D+01  0.327981D+01  0.277560D+01
      4   0.103557D+02 -0.141112D+02 -0.849475D+01  0.503373D+00 -0.255587D+01
      5  -0.311920D+02 -0.816655D+01  0.700332D+01  0.134829D+01  0.206054D+01
      6  -0.604373D+01 -0.782074D+01  0.152376D+01 -0.823822D+00 -0.247491D+01
                21            22            23            24            25 
      1   0.100883D+02 -0.147378D+01 -0.479087D+01  0.456787D+01  0.684582D+01
      2   0.250844D+00  0.747131D-01  0.204867D+01 -0.125952D+01 -0.220621D+01
      3  -0.103392D+02  0.139907D+01  0.274220D+01 -0.330834D+01 -0.463961D+01
      4   0.122359D+01  0.194735D+01 -0.387255D+01  0.322923D+01 -0.206877D+01
      5  -0.556218D+01 -0.211105D+00  0.313511D+01 -0.468853D+01  0.294677D+01
      6   0.433424D+01 -0.248822D+00 -0.378415D+01  0.688805D+01  0.115111D+01
                26            27            28            29            30 
      1   0.577455D+01 -0.198282D+02  0.279667D+01  0.328990D+01  0.260429D+01
      2   0.377113D+00 -0.617842D+01  0.837986D+00 -0.271286D+00 -0.452645D+00
      3  -0.615166D+01  0.260066D+02 -0.363466D+01 -0.301862D+01 -0.215164D+01
      4   0.423014D+01 -0.581859D+01  0.885505D+01  0.103190D+02  0.362813D+01
      5  -0.711463D+01  0.217014D+02  0.438142D+01  0.361542D+01  0.726884D+01
      6   0.640319D+01 -0.114934D+02  0.437067D+01  0.198178D+01  0.167842D+01
                31            32            33            34            35 
      1   0.190221D+01 -0.949673D+01 -0.480453D+01  0.793530D+00 -0.511452D+01
      2   0.218797D+01  0.172622D+02  0.575889D+01  0.689744D+00  0.406226D+01
      3  -0.409018D+01 -0.776548D+01 -0.954361D+00 -0.148327D+01  0.105226D+01
      4   0.133315D+02  0.271603D+02  0.106499D+02  0.476910D+01  0.105596D+02
      5   0.443506D+01  0.104649D+02  0.106921D+02  0.916077D+01  0.881718D+01
      6   0.418835D+01  0.143988D+02  0.986368D+01  0.400365D+01  0.111554D+02
                36            37            38            39            40 
      1  -0.458577D+01 -0.601579D+02 -0.144218D+02  0.810641D+01 -0.133529D+02
      2   0.788829D+00  0.251611D+02  0.835934D+01  0.908389D+00  0.718494D+01
      3   0.379694D+01  0.349969D+02  0.606250D+01 -0.901480D+01  0.616801D+01
      4   0.922446D+01 -0.181838D+02  0.889314D+01 -0.300964D+01  0.743874D+01
      5   0.938847D+01  0.109395D+02 -0.344069D+00  0.144150D+02 -0.215528D+01
      6   0.933434D+01  0.349526D+01 -0.759477D+01  0.419428D+01 -0.335385D+01
                41            42            43            44            45 
      1   0.200058D+02 -0.487071D+01 -0.474615D+01 -0.668070D+01  0.145880D+02
      2  -0.435969D+01  0.964106D+01  0.118973D+02  0.934192D+01 -0.137412D+02
      3  -0.156461D+02 -0.477035D+01 -0.715110D+01 -0.266123D+01 -0.846825D+00
      4   0.516901D+01  0.198781D+02 -0.807636D+01  0.166104D+02  0.803382D+01
      5   0.148068D+02  0.571430D+01  0.256585D+02  0.777689D+01 -0.122413D+02
      6   0.255287D+01 -0.139806D+02  0.704364D+01 -0.104729D+02 -0.293164D+01
                46            47            48            49            50 
      1  -0.171107D+02 -0.237155D+01 -0.343984D+01  0.427032D+01 -0.965547D+01
      2   0.391406D+01  0.126536D+01 -0.893693D+00 -0.543094D+01  0.154536D+02
      3   0.131967D+02  0.110619D+01  0.433353D+01  0.116062D+01 -0.579816D+01
      4   0.244559D+01  0.429673D+01 -0.881239D+00 -0.109775D+02 -0.183906D+01
      5  -0.710307D+01 -0.136268D+01  0.216012D+01 -0.420088D+01  0.140858D+01
      6  -0.316711D+01  0.791308D+00  0.986850D+00 -0.334005D+01  0.609211D+01
                51            52            53            54            55 
      1  -0.112501D+01 -0.623537D+01 -0.227372D+01 -0.853591D+01  0.902490D+02
      2   0.694285D+01 -0.102285D+01  0.424421D+01 -0.351520D+01 -0.451923D+02
      3  -0.581784D+01  0.725822D+01 -0.197049D+01  0.120511D+02 -0.450567D+02
      4   0.116046D+01 -0.497666D+01  0.211963D+01  0.158138D+01  0.215177D+02
      5   0.960621D+00  0.571186D+01  0.128833D+01 -0.875563D+00 -0.279878D+02
      6  -0.271987D+01  0.515446D+00  0.680474D+01 -0.300758D+01 -0.408119D+01
                56            57            58            59            60 
      1   0.931409D+01 -0.486149D+01  0.794381D+01  0.610152D+01  0.525496D+00
      2  -0.298850D+01  0.606654D+01 -0.201402D+01 -0.222318D+01 -0.321214D+00
      3  -0.632559D+01 -0.120505D+01 -0.592979D+01 -0.387834D+01 -0.204282D+00
      4   0.130496D+02 -0.189502D+01  0.144454D+02  0.525547D+01 -0.301875D+01
      5  -0.337850D+01  0.139364D+02 -0.274630D+01 -0.410560D+01  0.159934D+01
      6  -0.310612D+01  0.215885D+01 -0.258152D+01 -0.135396D+01  0.317103D+01
                61            62            63            64            65 
      1   0.636588D+01  0.143337D+01  0.551304D+01  0.450648D+01 -0.246343D+01
      2  -0.739955D+00 -0.555507D+00 -0.355995D+01 -0.280208D+01  0.117056D+01
      3  -0.562593D+01 -0.877862D+00 -0.195310D+01 -0.170440D+01  0.129287D+01
      4   0.212813D+01 -0.583313D+00  0.159567D+01 -0.170694D+01 -0.449148D+00
      5   0.860107D+01  0.795040D+00 -0.561632D+00 -0.228252D+01  0.191315D+01
      6   0.123384D+01  0.215307D+01  0.265166D-02  0.240500D+01  0.185147D+01
                66            67            68            69            70 
      1  -0.495462D+01 -0.616585D+01 -0.893139D+01 -0.546657D+01 -0.335998D+01
      2   0.392263D+00  0.430613D+01  0.168451D+01 -0.535560D+01  0.229771D+01
      3   0.456235D+01  0.185972D+01  0.724688D+01  0.108222D+02  0.106227D+01
      4   0.402022D+00  0.255171D+01 -0.190091D+02 -0.122384D+02  0.168248D+01
      5  -0.493638D+00  0.771424D+01 -0.101096D+02 -0.139572D+02  0.434419D+01
      6  -0.448518D-01 -0.359464D+00  0.133549D+02  0.107764D+02 -0.831024D+00
                71            72            73            74            75 
      1  -0.431866D+01 -0.103308D+02 -0.598061D+00  0.880154D+01 -0.761945D+01
      2  -0.434352D+01 -0.564522D+01  0.106867D+01 -0.561464D+01  0.133238D+01
      3   0.866218D+01  0.159761D+02 -0.470606D+00 -0.318691D+01  0.628707D+01
      4  -0.105626D+02 -0.872959D+01  0.232616D+01 -0.223730D+01  0.117303D+01
      5  -0.739532D+01 -0.132065D+02  0.205598D+00 -0.634129D+00 -0.222098D+01
      6   0.101441D+02  0.810892D+01 -0.385823D+01  0.568709D+01 -0.469173D+01
                76            77            78            79            80 
      1   0.858096D+01 -0.185188D+02  0.120657D+02 -0.342587D+01  0.996551D+01
      2  -0.487197D+01  0.146301D+02 -0.441462D+01  0.668086D+00 -0.279915D+01
      3  -0.370899D+01  0.388864D+01 -0.765109D+01  0.275779D+01 -0.716636D+01
      4   0.286957D+01  0.160234D+02 -0.110247D+02 -0.497307D+00 -0.888963D+01
      5  -0.442009D+01 -0.816084D+01  0.833044D+01  0.225442D+01  0.570832D+01
      6   0.126676D+01 -0.178610D+02  0.151490D+02 -0.131375D+01  0.132181D+02
                81            82            83            84            85 
      1  -0.149832D+02 -0.731372D+00  0.176216D+02  0.462266D+01 -0.550289D+01
      2   0.877374D+00 -0.583561D+00 -0.123254D+02  0.569165D+00  0.141459D+02
      3   0.141058D+02  0.131493D+01 -0.529623D+01 -0.519182D+01 -0.864300D+01
      4   0.644323D+01  0.117387D+02 -0.115157D+02 -0.266763D+00  0.356189D+01
      5  -0.914890D+01  0.344650D+01 -0.682948D+00 -0.287643D+01  0.292004D+01
      6  -0.124423D+02  0.224862D+01 -0.755170D+00 -0.671859D+01  0.793825D+01
                86            87            88            89            90 
      1   0.205919D+01  0.505101D+01 -0.195741D+01  0.617032D+01 -0.136991D+02
      2  -0.566720D+01 -0.307182D+01  0.704152D+01 -0.751762D+01  0.143805D+01
      3   0.360801D+01 -0.197919D+01 -0.508411D+01  0.134731D+01  0.122611D+02
      4   0.145720D+02  0.279479D+01  0.305758D+01  0.118918D+01  0.343187D+01
      5   0.263972D+01 -0.560767D+00  0.285522D+01  0.216362D+01 -0.681928D+00
      6  -0.554575D+01  0.558917D+01 -0.362750D+01  0.110867D+02 -0.503444D+00
                91            92            93            94            95 
      1   0.102737D+02 -0.220149D+02 -0.256008D+01  0.206621D+02  0.118077D+02
      2  -0.925314D+01  0.146278D+02  0.414738D+00 -0.190333D+02 -0.162430D+02
      3  -0.102054D+01  0.738702D+01  0.214534D+01 -0.162883D+01  0.443531D+01
      4  -0.156343D+02 -0.643766D+01 -0.342928D+01  0.109783D+02 -0.400392D+01
      5  -0.541838D+01 -0.212450D+01 -0.229026D+01 -0.206387D+00 -0.728622D+01
      6  -0.424591D+01 -0.179343D+01  0.470978D+01 -0.527623D+01 -0.113159D+02
                96            97            98            99           100 
      1   0.306178D+01  0.427114D+01  0.236588D+00 -0.548240D+01 -0.152977D+02
      2  -0.710785D+01 -0.746419D+01 -0.853234D+01 -0.541928D+01  0.903477D+01
      3   0.404607D+01  0.319305D+01  0.829575D+01  0.109017D+02  0.626296D+01
      4  -0.679272D+01 -0.386988D+01 -0.100732D+02  0.124701D+02 -0.263176D+01
      5   0.117708D+02  0.124120D+02  0.130737D+02  0.875835D+01 -0.478304D+01
      6   0.640928D+01  0.506536D+01  0.137429D+02  0.307093D+01  0.390122D+00
               101           102           103           104           105 
      1  -0.391901D+01 -0.556438D+01  0.987800D+01 -0.211698D+02 -0.739882D+01
      2   0.281222D+01  0.198963D+01 -0.883724D+01  0.197068D+02  0.101596D+02
      3   0.110679D+01  0.357476D+01 -0.104076D+01  0.146303D+01 -0.276078D+01
      4   0.227216D+02 -0.945016D-01 -0.196043D+02 -0.380734D+01 -0.352916D+01
      5  -0.430716D+00  0.201562D+02 -0.122103D+02 -0.131666D+01  0.233642D+01
      6   0.207869D+00  0.247459D+01 -0.295554D+01  0.441322D+01 -0.455957D+01
               106           107           108           109           110 
      1  -0.389851D+01 -0.791081D+01  0.124380D+02 -0.148504D+01  0.243813D+02
      2  -0.320274D+00  0.590118D+01 -0.159658D+02 -0.213800D+01 -0.152938D+02
      3   0.421879D+01  0.200963D+01  0.352786D+01  0.362304D+01 -0.908750D+01
      4  -0.123092D+02 -0.101090D+01  0.188072D+01  0.168573D+02  0.254507D+01
      5   0.343789D+02  0.298998D+01  0.554679D+01  0.186155D+00  0.608945D+00
      6   0.134446D+01  0.655963D+01 -0.398358D+01  0.938954D+00 -0.135519D+01
               111           112           113           114           115 
      1   0.528886D+01 -0.264843D+02  0.449032D+01  0.138593D+01 -0.745292D+01
      2   0.553334D+00  0.262645D+02 -0.850410D+01 -0.169669D+01  0.950012D+01
      3  -0.584220D+01  0.219738D+00  0.401379D+01  0.310762D+00 -0.204720D+01
      4   0.210933D+01  0.168026D+01  0.104253D+02  0.934782D+01 -0.190143D+01
      5   0.573823D+01 -0.462941D+01  0.796369D+01 -0.135573D+02  0.189543D+02
      6  -0.760111D+01  0.732255D+01 -0.658786D+01  0.498392D+01 -0.589863D+01
               116           117           118           119           120 
      1   0.423186D+01  0.196154D+01  0.123746D+02 -0.122120D+02  0.977992D-01
      2  -0.806719D+01 -0.879740D+01 -0.805862D+01  0.929657D+01 -0.100573D+01
      3   0.383533D+01  0.683586D+01 -0.431600D+01  0.291542D+01  0.907932D+00
      4   0.860590D+01 -0.133565D+02 -0.745115D+01 -0.181418D+02 -0.304072D+01
      5  -0.138329D+02 -0.827212D+01  0.920990D+00 -0.207278D+01 -0.564337D+01
      6   0.120009D+02 -0.546225D+00 -0.210813D+01 -0.200908D+01  0.520809D+01
               121           122           123           124           125 
      1   0.453354D+00  0.933527D+01  0.425177D+01  0.175512D+01  0.381056D+01
      2  -0.915710D+01 -0.133232D+02 -0.784990D+01 -0.426969D+01 -0.103353D+02
      3   0.870375D+01  0.398797D+01  0.359812D+01  0.251457D+01  0.652474D+01
      4   0.113770D+02 -0.134737D+02 -0.192442D+01 -0.529543D+00 -0.311549D+01
      5  -0.762133D+00 -0.232254D+01 -0.114048D+01  0.369415D+01 -0.548405D+01
      6  -0.509059D+01 -0.103494D+02  0.457548D+01  0.165077D+01  0.124828D+02
               126           127           128           129           130 
      1  -0.150317D+02 -0.488720D+01  0.762127D+01  0.736948D+00  0.829292D+01
      2  -0.827762D+00  0.689164D+01 -0.107850D+02 -0.755505D+00 -0.113603D+02
      3   0.158595D+02 -0.200444D+01  0.316377D+01  0.185566D-01  0.306735D+01
      4  -0.696431D+01 -0.868576D+01  0.858589D+01  0.979169D+00  0.829727D+01
      5  -0.439903D+01 -0.119968D+01  0.959533D+00  0.188140D+01  0.117138D+01
      6   0.416913D+01  0.882447D+00 -0.121897D+01 -0.252639D+01 -0.232320D+01
               131           132           133           134           135 
      1  -0.204164D+02 -0.332819D+01  0.141285D+01 -0.355551D+01 -0.984489D+00
      2   0.278293D+02  0.266349D+01 -0.180370D+01  0.404734D+01  0.158305D+01
      3  -0.741294D+01  0.664695D+00  0.390852D+00 -0.491828D+00 -0.598561D+00
      4  -0.907461D+01 -0.933942D+00  0.116376D+01 -0.101666D+01 -0.202202D+01
      5  -0.123439D+01 -0.135855D+01  0.108431D+01 -0.729419D+00 -0.848576D+00
      6   0.440075D+01  0.506852D+01 -0.960839D+00  0.228586D+01  0.154547D+01
               136           137           138           139           140 
      1   0.545738D+01  0.459405D+01  0.896430D+00 -0.982967D+00 -0.155943D+02
      2   0.331480D+01  0.528632D+01  0.384969D+00  0.112994D+02  0.373713D+02
      3  -0.877218D+01 -0.988037D+01 -0.128140D+01 -0.103164D+02 -0.217770D+02
      4   0.185085D+02  0.232261D+02  0.497604D+01  0.239636D+02  0.464600D+02
      5   0.429412D+01  0.501509D+01  0.457164D+01  0.520205D+01  0.932982D+01
      6   0.327975D+01  0.389474D+01  0.293079D+01  0.517463D+01  0.127331D+02
               141           142           143           144           145 
      1  -0.342260D+01  0.124303D+00 -0.289073D+01 -0.179693D+01  0.100356D+03
      2   0.531490D+01  0.201452D+01  0.716288D+01  0.300385D+01 -0.564430D+02
      3  -0.189231D+01 -0.213883D+01 -0.427215D+01 -0.120692D+01 -0.439129D+02
      4   0.939558D+01  0.609275D+01  0.113431D+02  0.411625D+01  0.130921D+02
      5   0.606967D+01  0.235217D+01  0.337251D+01  0.235379D+01  0.100740D+02
      6   0.885493D+01  0.237467D+01  0.496813D+01  0.338665D+01 -0.183646D+01
               146           147           148           149           150 
      1   0.889078D+01  0.638782D+01  0.696567D+01  0.945357D+01  0.178518D+01
      2  -0.440295D+01 -0.431816D+01 -0.304457D+01 -0.424843D+01 -0.142486D+01
      3  -0.448783D+01 -0.206966D+01 -0.392110D+01 -0.520515D+01 -0.360319D+00
      4   0.951320D+01  0.687014D+00  0.153298D+02  0.412576D+01  0.132897D+01
      5   0.746038D+00  0.102683D+02  0.364968D+01  0.151371D+01  0.140517D+01
      6   0.291410D+00  0.541719D+00  0.824247D+00  0.147231D-01  0.146972D+01
               151           152           153           154           155 
      1   0.749744D+01  0.195933D+01  0.361083D+01  0.214277D+02 -0.134755D+02
      2  -0.409420D+01 -0.987435D+00 -0.209731D+01 -0.347318D+01 -0.142022D+01
      3  -0.340324D+01 -0.971899D+00 -0.151351D+01 -0.179545D+02  0.148957D+02
      4   0.387005D+01  0.144814D+01  0.805126D+00 -0.328277D+02  0.304520D+02
      5   0.267750D+01  0.457656D+00  0.123687D+01 -0.548743D+01  0.391536D+01
      6   0.168626D+00  0.457703D+00  0.394163D+00  0.209131D+01 -0.170660D+01
               156           157           158           159           160 
      1  -0.235624D+01 -0.891825D+01  0.327050D+01  0.662084D+00 -0.749487D+00
      2   0.810968D+00 -0.650663D+01  0.170990D+02  0.865200D+00 -0.125511D+01
      3   0.154528D+01  0.154249D+02 -0.203695D+02 -0.152728D+01  0.200460D+01
      4   0.390670D+01  0.334412D+02 -0.438786D+02 -0.671191D+01  0.543167D+01
      5   0.582412D+01  0.591591D+01 -0.696917D+01 -0.578481D+01  0.252448D+01
      6  -0.313146D+01 -0.371855D+01  0.528735D+01  0.587124D+01 -0.191982D+01
               161           162           163           164           165 
      1  -0.294045D-01  0.750490D-01 -0.516654D+01 -0.878869D+01 -0.264406D+01
      2   0.278457D+01  0.120670D+01  0.658549D+01  0.104093D+02  0.179107D+01
      3  -0.275517D+01 -0.128175D+01 -0.141895D+01 -0.162064D+01  0.852989D+00
      4  -0.710488D+01 -0.334132D+01  0.375241D+01  0.735664D+01  0.137606D+01
      5  -0.259302D+01 -0.148500D+01  0.980308D+00  0.123774D+01  0.160259D+01
      6   0.264097D+01  0.173598D+01  0.247823D+01  0.356292D+01  0.267345D+01
               166           167           168           169           170 
      1  -0.777408D+01 -0.324128D+02 -0.786335D+01 -0.235581D+01 -0.803663D+01
      2   0.954062D+01  0.426753D+02  0.738958D+01  0.265074D+01  0.956451D+01
      3  -0.176654D+01 -0.102625D+02  0.473771D+00 -0.294932D+00 -0.152788D+01
      4   0.517114D+01 -0.551496D+00 -0.612107D+00  0.145331D+01  0.588007D-01
      5   0.955383D+00 -0.624948D+00  0.310525D-01  0.668834D+00  0.568268D+00
      6   0.302063D+01  0.125092D+02  0.863438D+01  0.112708D+01  0.501446D+01
               171 
      1  -0.339363D+01
      2   0.392051D+01
      3  -0.526878D+00
      4   0.140081D+01
      5   0.641542D+00
      6   0.346339D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.430597D+00      0.109447D+01      0.365076D+01
   y         -0.282856D+00     -0.718948D+00     -0.239815D+01
   z         -0.167596D+00     -0.425986D+00     -0.142094D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.119741D+03      0.177437D+02      0.197426D+02
   yx         0.978013D+00      0.144927D+00      0.161253D+00
   yy         0.974025D+02      0.144336D+02      0.160595D+02
   zx         0.390203D+00      0.578222D-01      0.643358D-01
   zy         0.510433D+01      0.756383D+00      0.841590D+00
   zz         0.674325D+02      0.999246D+01      0.111181D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103005D+03      0.152638D+02      0.169833D+02
   aniso      0.474463D+02      0.703082D+01      0.782284D+01
   xx         0.128781D+03      0.190834D+02      0.212332D+02
   yx         0.885755D+00      0.131255D+00      0.146041D+00
   yy         0.105095D+03      0.155734D+02      0.173278D+02
   zx         0.522780D+00      0.774680D-01      0.861947D-01
   zy         0.516756D+01      0.765753D+00      0.852015D+00
   zz         0.751401D+02      0.111346D+02      0.123889D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.12982941         -0.62820153         -3.65767643
     6         -2.17234194          1.27559950         -1.99743722
     1         -3.87341185         -1.94798094         -2.64643554
     1         -3.75430812          2.21636858         -1.04102173
     6         -0.82607496          3.19883798         -3.65722918
     6         -0.44402530          0.18873548          0.00613316
     1         -2.12656188          3.94558091         -5.07078125
     1          0.76199081          2.30833506         -4.62398569
     1         -0.10870316          4.75625079         -2.51476853
     6          1.28484939         -1.70755937         -0.59546326
     6          2.91321040         -2.65401771          1.23176328
     6          2.84193646         -1.71084278          3.68423608
     6          1.12418060          0.17700041          4.29975684
     6         -0.51064626          1.11312418          2.46900096
     1          1.33080332         -2.44596170         -2.50217498
     1          4.24389039         -4.12896869          0.74204661
     1          4.11085719         -2.45046137          5.10768329
     1          1.04685552          0.91204869          6.20734132
     1         -1.85932682          2.57513253          2.95893918

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541766D+00      0.137703D+01      0.459328D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.876665D+02      0.129908D+02      0.144543D+02
   yx        -0.189601D+02     -0.280960D+01     -0.312610D+01
   yy         0.876181D+02      0.129837D+02      0.144463D+02
   zx         0.141049D+02      0.209014D+01      0.232559D+01
   zy        -0.118088D+01     -0.174988D+00     -0.194700D+00
   zz         0.109291D+03      0.161952D+02      0.180196D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103005D+03      0.152638D+02      0.169833D+02
   aniso      0.474463D+02      0.703082D+01      0.782284D+01
   xx         0.958404D+02      0.142021D+02      0.158019D+02
   yx        -0.191547D+02     -0.283844D+01     -0.315818D+01
   yy         0.953075D+02      0.141231D+02      0.157141D+02
   zx         0.146877D+02      0.217649D+01      0.242168D+01
   zy        -0.141409D+01     -0.209547D+00     -0.233153D+00
   zz         0.117868D+03      0.174663D+02      0.194339D+02

 ----------------------------------------------------------------------
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 \\\@


 YOU CANNOT THROW TO THE GROUND THE LETTERS OF
 THE GREEK ALPHABET AND PICK UP THE ILIAD.
        - RUFUS CHOATE, 1799-1859
 Job cpu time:       0 days  3 hours 40 minutes 41.4 seconds.
 Elapsed time:       0 days  0 hours 27 minutes 39.9 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:30:12 2021.
